Geometry & MOs

Info

ID:	152474
PubChem CID:	56311410
Reduced:	BrFON2C20H22 (1)
Stoich.:	ABCD2E20F22 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-51.63
Dipole, Da:	1.3
IP(EA), eV:	-8.95(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations