Geometry & MOs

Info

ID:	191698
PubChem CID:	78179365
Reduced:	PN3O5C7H12 (1)
Stoich.:	AB3C5D7E12 (1)
Weight, g/mol:	256.040341
ΔH_f, kcal/mol:	-238.81
Dipole, Da:	3.64
IP(EA), eV:	-9.48(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-4aH-1,8-naphthyridin-4-one

Drug info:

PubChemData

Smile

C1C(=O)NC(=O)N(N1)CC=CCP(=O)(O)O

DOS

IR

Vibrations