Geometry & MOs

Info

ID:	395901
PubChem CID:	135026859
Reduced:	O3N7H17C18 (1)
Stoich.:	A3B7C17D18 (1)
Weight, g/mol:	365.123637
ΔH_f, kcal/mol:	40.85
Dipole, Da:	7.14
IP(EA), eV:	-8.83(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2C3=C(N=C(C(=C3N)C#N)N)N4CCNC4=C2[N+](=O)[O-]

DOS

IR

Vibrations