Geometry & MOs

Info

ID:	185351
PubChem CID:	77288610
Reduced:	FN4O8C37H51 (1)
Stoich.:	AB4C8D37E51 (1)
Weight, g/mol:	370.06776
ΔH_f, kcal/mol:	-360.81
Dipole, Da:	9.35
IP(EA), eV:	-8.06(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyano-2-methoxyphenyl)-5-oxo-2-(trifluoromethyl)-6H-1,6-naphthyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCOC1=C2C(=C(C=C1)F)C(=O)C(=CN2N(CC)C(=O)C(CCCCOC(=O)N)(C(C)(C)C)NC(=O)OC(C)(C)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations