Geometry & MOs

Info

ID:	21646
PubChem CID:	589402
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-85.19
Dipole, Da:	6.05
IP(EA), eV:	-9.04(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-3a,8b-dimethyl-1,2-dihydropyrrolo[2,3-b]indol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC2(C1(N(C3=CC=CC=C32)C(=O)C)C)C

DOS

IR

Vibrations