Geometry & MOs

Info

ID:	152733
PubChem CID:	56311792
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-55.93
Dipole, Da:	10.24
IP(EA), eV:	-9.29(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanoylamino]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations