Geometry & MOs

Info

ID:	181757
PubChem CID:	76789952
Reduced:	ClN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	357.113171
ΔH_f, kcal/mol:	-37.85
Dipole, Da:	3.16
IP(EA), eV:	-9.78(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(4-acetylphenyl)-2-(oxan-4-yl)ethenyl]-3-chloro-3H-pyridin-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)C=C(C2=CC=C(C=C2)CC(=O)N)C3=NC(=O)C(C=C3)Cl

DOS

IR

Vibrations