Geometry & MOs

Info

ID:	21972
PubChem CID:	594476
Reduced:	NCl2O2H15C22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	395.047984
ΔH_f, kcal/mol:	-8.07
Dipole, Da:	9.02
IP(EA), eV:	-8.4(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(2,6-dichlorophenyl)methyl]-2-methylpyridin-4-ylidene]indene-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=CN1CC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations