Geometry & MOs

Info

ID:	153265
PubChem CID:	56312434
Reduced:	F2N3O3C22H25 (1)
Stoich.:	A2B3C3D22E25 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-193.29
Dipole, Da:	4.81
IP(EA), eV:	-9.12(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3OC(F)F

DOS

IR

Vibrations