Geometry & MOs

Info

ID:	398112
PubChem CID:	135031815
Reduced:	ClO3N7H16C18 (1)
Stoich.:	AB3C7D16E18 (1)
Weight, g/mol:	408.129451
ΔH_f, kcal/mol:	34.28
Dipole, Da:	9.69
IP(EA), eV:	-8.81(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations