Geometry & MOs

Info

ID:	414161
PubChem CID:	135087116
Reduced:	NPO4C7H16 (1)
Stoich.:	ABC4D7E16 (1)
Weight, g/mol:	334.168128
ΔH_f, kcal/mol:	-202.12
Dipole, Da:	2.35
IP(EA), eV:	-9.45(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetyl-1-butylindol-2-yl)benzamide

Drug info:

PubChemData

Smile

CCOP(=O)(C/C=N/OC)OCC

DOS

IR

Vibrations