Geometry & MOs

Info

ID:	336512
PubChem CID:	127255519
Reduced:	ClNOF3C9H9 (1)
Stoich.:	ABCD3E9F9 (1)
Weight, g/mol:	232.00151
ΔH_f, kcal/mol:	-209.97
Dipole, Da:	5.71
IP(EA), eV:	-8.91(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-2-(trifluoromethyl)-1,5-naphthyridine

Drug info:

PubChemData

Smile

C1COC2=C(N1)C=CC(=C2)C(F)(F)F.Cl

DOS

IR

Vibrations