Geometry & MOs

Info

ID:	22631
PubChem CID:	598046
Reduced:	O4N5C6H9 (1)
Stoich.:	A4B5C6D9 (1)
Weight, g/mol:	215.065454
ΔH_f, kcal/mol:	19.99
Dipole, Da:	1.38
IP(EA), eV:	-10.29(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,6-N-dimethoxy-5-nitropyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CONC1=C(C(=NC=N1)NOC)[N+](=O)[O-]

DOS

IR

Vibrations