Geometry & MOs

Info

ID:	152561
PubChem CID:	56311517
Reduced:	O2F3N3C23H26 (1)
Stoich.:	A2B3C3D23E26 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-215.06
Dipole, Da:	2.29
IP(EA), eV:	-9.14(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations