Geometry & MOs

Info

ID:	393525
PubChem CID:	135020898
Reduced:	SO2N3C33H33 (1)
Stoich.:	AB2C3D33E33 (1)
Weight, g/mol:	425.210327
ΔH_f, kcal/mol:	24.94
Dipole, Da:	3.65
IP(EA), eV:	-8.77(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-7-methylidene-3-morpholin-4-yl-6-(2-phenylethyl)pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1COCCN1C2=C(N=C3C(N(C(=O)C3=C2)CCC4=CC=CC=C4)CSC5=CC=CC=C5)CC6=CC=CC=C6

DOS

IR

Vibrations