Geometry & MOs

Info

ID:	152646
PubChem CID:	56311661
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-69.84
Dipole, Da:	2.45
IP(EA), eV:	-9.24(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations