Geometry & MOs

Info

ID:	210829
PubChem CID:	80858978
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-41.13
Dipole, Da:	2.36
IP(EA), eV:	-9.05(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5-dimethyl-6-(2-methylcyclohexyl)oxypyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1OC2CCCCC2C)N

DOS

IR

Vibrations