Geometry & MOs

Info

ID:	170182
PubChem CID:	75205243
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	382.169271
ΔH_f, kcal/mol:	-102.47
Dipole, Da:	9.41
IP(EA), eV:	-8.5(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxyphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2CC2)NC(=O)C=CC3=CC=C(C=C3)OC

DOS

IR

Vibrations