Geometry & MOs

Info

ID:	263357
PubChem CID:	103358973
Reduced:	O2N5C9H15 (1)
Stoich.:	A2B5C9D15 (1)
Weight, g/mol:	281.148789
ΔH_f, kcal/mol:	-51.12
Dipole, Da:	1.96
IP(EA), eV:	-9.09(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1(CCN(C1)C2=NC(=NC(=N2)N)OC)O

DOS

IR

Vibrations