Geometry & MOs

Info

ID:	39670
PubChem CID:	8141824
Reduced:	NF2O4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	369.185255
ΔH_f, kcal/mol:	-204.67
Dipole, Da:	5.54
IP(EA), eV:	-8.76(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)NC2=CC(=C(C=C2)OC(F)F)C3=CC=C(C=C3)OC

DOS

IR

Vibrations