Geometry & MOs

Info

ID:	129969
PubChem CID:	51074431
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	345.15896
ΔH_f, kcal/mol:	6.2
Dipole, Da:	2.08
IP(EA), eV:	-8.89(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NCC2=NC3=CC=CC=C3N2C

DOS

IR

Vibrations