Geometry & MOs

Info

ID:	222330
PubChem CID:	85296894
Reduced:	NSiO3C21H31 (1)
Stoich.:	ABC3D21E31 (1)
Weight, g/mol:	378.121572
ΔH_f, kcal/mol:	-101.53
Dipole, Da:	1.96
IP(EA), eV:	-8.97(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethoxyphenyl)-8-methyl-12,14-dioxa-4,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),4,6,9,11(15)-pentaen-3-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC(CC#N)C(CC(C#C)O)OCC1=CC=CC=C1

DOS

IR

Vibrations