Geometry & MOs

Info

ID:	398113
PubChem CID:	135031816
Reduced:	O2N4H8C9 (2)
Stoich.:	A2B4C8D9 (2)
Weight, g/mol:	436.160751
ΔH_f, kcal/mol:	65.97
Dipole, Da:	10.96
IP(EA), eV:	-9.43(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-9,9-dimethyl-6-nitro-5-(4-nitrophenyl)-5,7,8,10-tetrahydropyrimido[1,2-a][1,8]naphthyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CNC2=C(C(C3=C(N2C1)N=C(C(=C3N)C#N)N)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations