Geometry & MOs

Info

ID:	447028
PubChem CID:	135279639
Reduced:	NOC7H13 (1)
Stoich.:	ABC7D13 (1)
Weight, g/mol:	333.196489
ΔH_f, kcal/mol:	-30.51
Dipole, Da:	1.58
IP(EA), eV:	-9.13(1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1CCC2(CC2)OC1

DOS

IR

Vibrations