Geometry & MOs

Info

ID:	191425
PubChem CID:	78145215
Reduced:	ClN3O4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	454.157182
ΔH_f, kcal/mol:	-119.78
Dipole, Da:	5.13
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-acetyl-8-[4-(dimethylamino)cyclohexyl]imino-1,5-naphthyridin-2-ylidene]-2-chloro-6-fluorocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(CCOC1=CC=C(C=C1)C2(COC2)CC(=O)O)C3CCN(CC3)C4=NC=C(C=N4)Cl

DOS

IR

Vibrations