Geometry & MOs

Info

ID:	152259
PubChem CID:	56311152
Reduced:	O2N3C26H29 (1)
Stoich.:	A2B3C26D29 (1)
Weight, g/mol:	443.12084
ΔH_f, kcal/mol:	-30.77
Dipole, Da:	4.03
IP(EA), eV:	-8.59(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations