Geometry & MOs

Info

ID:	153053
PubChem CID:	56312177
Reduced:	ClFO2N3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-104.66
Dipole, Da:	3.32
IP(EA), eV:	-9.17(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations