Geometry & MOs

Info

ID:	289259
PubChem CID:	104342092
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	278.210661
ΔH_f, kcal/mol:	-48.92
Dipole, Da:	3.83
IP(EA), eV:	-8.77(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,4-dimethylcyclohexyl)-2-(ethoxymethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COC)NC2CCC(CC2C)C

DOS

IR

Vibrations