Geometry & MOs

Info

ID:	423802
PubChem CID:	135120266
Reduced:	ON2F3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-166.78
Dipole, Da:	8.02
IP(EA), eV:	-9.38(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C(=C1)F)F)F)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations