Geometry & MOs

Info

ID:	181758
PubChem CID:	76789953
Reduced:	ClNO3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	383.128821
ΔH_f, kcal/mol:	-65.04
Dipole, Da:	5.52
IP(EA), eV:	-9.88(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(3-chloro-4-methoxyphenyl)-3-(oxolan-2-yl)prop-1-enyl]-3-cyclopropylidenepyridin-2-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C(=CC2CCOCC2)C3=NC(=O)C(C=C3)Cl

DOS

IR

Vibrations