Geometry & MOs

Info

ID:	202193
PubChem CID:	79640892
Reduced:	NF2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-172.83
Dipole, Da:	5.12
IP(EA), eV:	-9.16(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(ethylamino)-3-(hydroxymethyl)cyclohexyl]oxyphenyl]methanol

Drug info:

PubChemData

Smile

C1CC(CC(C1)(CO)N)OC2=C(C(=CC=C2)F)F

DOS

IR

Vibrations