Geometry & MOs

Info

ID:	131898
PubChem CID:	51276081
Reduced:	SN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-62.24
Dipole, Da:	3.14
IP(EA), eV:	-8.69(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1H-indol-3-yl)acetyl]-N-phenylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CNC(=O)C(C1=CC=CC=C1)SC2=CC=CC=C2

DOS

IR

Vibrations