Geometry & MOs

Info

ID:	153040
PubChem CID:	56312156
Reduced:	F2O2N3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	461.11142
ΔH_f, kcal/mol:	-146.33
Dipole, Da:	1.4
IP(EA), eV:	-9.16(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)F)F

DOS

IR

Vibrations