Geometry & MOs

Info

ID:	156256
PubChem CID:	56369847
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	429.10519
ΔH_f, kcal/mol:	-93.4
Dipole, Da:	6.09
IP(EA), eV:	-8.74(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromophenyl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)NCCOC3=CC=CC=C3C

DOS

IR

Vibrations