Geometry & MOs

Info

ID:	39676
PubChem CID:	8141842
Reduced:	ClFO2N3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	373.119319
ΔH_f, kcal/mol:	-88.72
Dipole, Da:	3.21
IP(EA), eV:	-9.03(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations