Geometry & MOs

Info

ID:	389165
PubChem CID:	134991382
Reduced:	PC9H14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	447.310116
ΔH_f, kcal/mol:	-40.43
Dipole, Da:	2.04
IP(EA), eV:	-8.17(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(5S)-5-[[tert-butyl(dimethyl)silyl]methyl]pyrrolidin-2-ylidene]-2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-yl]acetonitrile

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

C[C@H]1CC[C@@H](P1C2=CC=CC=C2P3C[C@H](C[C@@H]3C)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

C[C@H]1CC[C@@H](P1C2=CC=CC=C2P3C[C@H](C[C@@H]3C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):