Geometry & MOs

Info

ID:	29259
PubChem CID:	832646
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	334.142976
ΔH_f, kcal/mol:	-6.04
Dipole, Da:	1.8
IP(EA), eV:	-9.25(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-indol-3-ylmethylideneamino)-4-(propanoylamino)benzamide

Drug info:

PubChemData

Smile

CC(C)CCC[C@H]1C[C@H]1C(=O)NC2=CC=CC=C2C#N

DOS

IR

Vibrations