Geometry & MOs

Info

ID:	152473
PubChem CID:	56311409
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	404.08995
ΔH_f, kcal/mol:	-98.47
Dipole, Da:	3.07
IP(EA), eV:	-9.27(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations