Geometry & MOs

Info

ID:	152346
PubChem CID:	56311261
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	443.12084
ΔH_f, kcal/mol:	-98.6
Dipole, Da:	2.63
IP(EA), eV:	-8.87(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-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=C(C=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations