Geometry & MOs

Info

ID:	398111
PubChem CID:	135031814
Reduced:	ON4H7C8 (2)
Stoich.:	AB4C7D8 (2)
Weight, g/mol:	413.100315
ΔH_f, kcal/mol:	89.11
Dipole, Da:	8.18
IP(EA), eV:	-9.15(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-5-(5-chloro-2-methoxyphenyl)-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=N4)[N+](=O)[O-])N1

DOS

IR

Vibrations