Geometry & MOs

Info

ID:	398110
PubChem CID:	135031813
Reduced:	F3O3N7H14C18 (1)
Stoich.:	A3B3C7D14E18 (1)
Weight, g/mol:	350.123972
ΔH_f, kcal/mol:	-123.67
Dipole, Da:	6.09
IP(EA), eV:	-9.3(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-6-nitro-5-pyridin-2-yl-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)OC(F)(F)F)[N+](=O)[O-])N1

DOS

IR

Vibrations