Geometry & MOs

Info

ID:	364566
PubChem CID:	127315818
Reduced:	FN3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	4.98
Dipole, Da:	6.05
IP(EA), eV:	-8.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-[(2,4-dimethylcyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

CC1CCN(CCN1C2=C(C(=CC=C2)F)C#N)C

DOS

IR

Vibrations