Geometry & MOs

Info

ID:	287137
PubChem CID:	104233767
Reduced:	FNO2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	295.194757
ΔH_f, kcal/mol:	-87.29
Dipole, Da:	5.49
IP(EA), eV:	-9.4(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)-3-methylcyclohexyl]-1-(2-fluoro-6-methoxyphenyl)ethanol

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1F)OC)(C2(CC3CCC2C3)C#N)O

DOS

IR

Vibrations