Geometry & MOs

Info

ID:	391850
PubChem CID:	135010251
Reduced:	NSiO2C26H45 (1)
Stoich.:	ABC2D26E45 (1)
Weight, g/mol:	463.257412
ΔH_f, kcal/mol:	-139.88
Dipole, Da:	4.16
IP(EA), eV:	-8.66(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-1-methyl-5-(2-trimethylsilylethoxymethyl)-5-azatricyclo[6.2.2.02,6]dodeca-2(6),3,9-trien-7-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC#C[C@H]1C(=C(CC[C@]1(CCCN)C(=O)CCC=C(C)C)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC#C[C@H]1C(=C(CC[C@]1(CCCN)C(=O)CCC=C(C)C)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):