Geometry & MOs

Info

ID:	210551
PubChem CID:	80821498
Reduced:	ON5C13H25 (1)
Stoich.:	AB5C13D25 (1)
Weight, g/mol:	260.102174
ΔH_f, kcal/mol:	-31.64
Dipole, Da:	3.24
IP(EA), eV:	-8.5(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(6-methylpyridin-2-yl)methyl]-5-nitropyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC(CC)N(CCOC)C1=NC(=NC(=C1)NC)N

DOS

IR

Vibrations