Geometry & MOs

Info

ID:	395251
PubChem CID:	135025022
Reduced:	NOSiC5H12 (1)
Stoich.:	ABCD5E12 (1)
Weight, g/mol:	541.236542
ΔH_f, kcal/mol:	-58.76
Dipole, Da:	4.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769357
Charge, e:	0

Chem-info

IUPAC name:

3-[3-imino-1-(4-methoxyphenyl)-3-phenylpropyl]-3-isocyano-4-(4-methoxyphenyl)-6-phenyl-1,4-dihydropyridin-2-one

Drug info:

PubChemData

Smile

CC(=N[Si](C)(C)C)[O-]

DOS

IR

Vibrations