Geometry & MOs

Info

ID:	152242
PubChem CID:	56311133
Reduced:	BrO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	413.187005
ΔH_f, kcal/mol:	-56.23
Dipole, Da:	5.7
IP(EA), eV:	-8.89(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Br)C

DOS

IR

Vibrations