Geometry & MOs

Info

ID:	398108
PubChem CID:	135031809
Reduced:	O2N7H15C17 (1)
Stoich.:	A2B7C15D17 (1)
Weight, g/mol:	363.144373
ΔH_f, kcal/mol:	81.71
Dipole, Da:	7.05
IP(EA), eV:	-9.12(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-5-(3-methylphenyl)-6-nitro-5,7,8,9-tetrahydroimidazo[1,2-a][1,8]naphthyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CN2C(=C(C(C3=C2N=C(C(=C3N)C#N)N)C4=CC=CC=C4)[N+](=O)[O-])N1

DOS

IR

Vibrations