Geometry & MOs

Info

ID:	398106
PubChem CID:	135031807
Reduced:	BrO2N7H14C17 (1)
Stoich.:	AB2C7D14E17 (1)
Weight, g/mol:	367.119301
ΔH_f, kcal/mol:	83.01
Dipole, Da:	6.44
IP(EA), eV:	-9.23(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-5-(4-fluorophenyl)-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)Br)[N+](=O)[O-])N1

DOS

IR

Vibrations