Geometry & MOs

Info

ID:	210668
PubChem CID:	80837571
Reduced:	O2N5C10H15 (1)
Stoich.:	A2B5C10D15 (1)
Weight, g/mol:	317.115775
ΔH_f, kcal/mol:	27.94
Dipole, Da:	6.9
IP(EA), eV:	-8.92(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-5-nitropyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CNC1=NC(=C(C=C1)[N+](=O)[O-])N2CCNCC2

DOS

IR

Vibrations