Geometry & MOs

Info

ID:	392499
PubChem CID:	135016972
Reduced:	ON2C19H20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	316.157563
ΔH_f, kcal/mol:	-15.77
Dipole, Da:	5.91
IP(EA), eV:	-8.26(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-1,3a,4,9,10,10a-hexahydropyrrolo[3,4-b]carbazol-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=C(NC3=C(C=C(C=C23)C)C)C

DOS

IR

Vibrations