Geometry & MOs

Info

ID:	318557
PubChem CID:	126651887
Reduced:	N3O4H29C31 (1)
Stoich.:	A3B4C29D31 (1)
Weight, g/mol:	302.127994
ΔH_f, kcal/mol:	-68.49
Dipole, Da:	5.99
IP(EA), eV:	-8.86(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,7-naphthyridin-8-amine

Drug info:

PubChemData

Smile

C=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3)OCC4=CC=C(C=C4)CN5CCC6=CC=CC=C6C5

DOS

IR

Vibrations