Geometry & MOs

Info

ID:	276987
PubChem CID:	103826145
Reduced:	FON3C11H18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	225.12774
ΔH_f, kcal/mol:	-78.31
Dipole, Da:	1.81
IP(EA), eV:	-9.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)CC(CNC1=NC=C(C=N1)F)O

DOS

IR

Vibrations