Geometry & MOs

Info

ID:	341059
PubChem CID:	127263494
Reduced:	FNO2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	266.107357
ΔH_f, kcal/mol:	-75.54
Dipole, Da:	3.58
IP(EA), eV:	-8.89(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-2-(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-ol

Drug info:

PubChemData

Smile

COCC12CN(CC1C3=C(C=CC=C3F)OC2)CC4=CC=CC=C4

DOS

IR

Vibrations