Geometry & MOs

Info

ID:	211345
PubChem CID:	80933329
Reduced:	ClN4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	262.215747
ΔH_f, kcal/mol:	31.56
Dipole, Da:	2.73
IP(EA), eV:	-8.53(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N,2-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)NC2=CC=CC=C2Cl)NCC

DOS

IR

Vibrations