Geometry & MOs

Info

ID:	167777
PubChem CID:	74873909
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	312.104084
ΔH_f, kcal/mol:	-113.73
Dipole, Da:	8.6
IP(EA), eV:	-9.04(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6-fluorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C=CC(=O)O

DOS

IR

Vibrations