Geometry & MOs

Info

ID:	206241
PubChem CID:	80222518
Reduced:	FNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	279.199843
ΔH_f, kcal/mol:	-93.85
Dipole, Da:	5.93
IP(EA), eV:	-9.7(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(3-fluoro-4-methylphenyl)ethanol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)(C2(CC3CCC2O3)C#N)O)F

DOS

IR

Vibrations