Geometry & MOs

Info

ID:	395819
PubChem CID:	135026644
Reduced:	ClNOI2H6C7 (1)
Stoich.:	ABCD2E6F7 (1)
Weight, g/mol:	375.219829
ΔH_f, kcal/mol:	9.55
Dipole, Da:	3.61
IP(EA), eV:	-8.6(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-cyclohexyl-2-(4-methoxyphenyl)-2,3-dihydropyridin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1I)N)Cl)I

DOS

IR

Vibrations