Geometry & MOs

Info

ID:	398109
PubChem CID:	135031810
Reduced:	O2N7H17C18 (1)
Stoich.:	A2B7C17D18 (1)
Weight, g/mol:	433.111022
ΔH_f, kcal/mol:	71.63
Dipole, Da:	6.47
IP(EA), eV:	-9.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2C3=C(N=C(C(=C3N)C#N)N)N4CCNC4=C2[N+](=O)[O-]

DOS

IR

Vibrations