Geometry & MOs

Info

ID:	153031
PubChem CID:	56312147
Reduced:	O2F3N4C23H23 (1)
Stoich.:	A2B3C4D23E23 (1)
Weight, g/mol:	461.11142
ΔH_f, kcal/mol:	-137.95
Dipole, Da:	2.97
IP(EA), eV:	-9.22(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations