Geometry & MOs

Info

ID:	152556
PubChem CID:	56311512
Reduced:	F3N3O3C23H26 (1)
Stoich.:	A3B3C3D23E26 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-255.88
Dipole, Da:	4.52
IP(EA), eV:	-9.16(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3OC(F)(F)F

DOS

IR

Vibrations