Geometry & MOs

Info

ID:	272732
PubChem CID:	103753716
Reduced:	ON4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	-21.63
Dipole, Da:	6.56
IP(EA), eV:	-8.99(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-methyl-4-N-[(1-methylcyclohexyl)methyl]-5-nitropyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1(CCCCC1)CNC2=NN=C(C=C2)C(=O)N

DOS

IR

Vibrations