Geometry & MOs

Info

ID:	151831
PubChem CID:	56310644
Reduced:	O2N3C28H31 (1)
Stoich.:	A2B3C28D31 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-25.85
Dipole, Da:	3.34
IP(EA), eV:	-8.92(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(3-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations