Geometry & MOs

Info

ID:	121225
PubChem CID:	50759263
Reduced:	ClN4O4H21C23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	418.10842
ΔH_f, kcal/mol:	-53.9
Dipole, Da:	6.84
IP(EA), eV:	-8.96(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C(=NO3)C4=C(C=CC(=C4)OC)Cl)C

DOS

IR

Vibrations