Geometry & MOs

Info

ID:	403441
PubChem CID:	135060319
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	-25.56
Dipole, Da:	5.68
IP(EA), eV:	-8.16(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,6,9-trimethylpyrido[2,3-b]indol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C3=C(N2C)C=CC(=C3)OC)C(=O)C

DOS

IR

Vibrations