Geometry & MOs

Info

ID:	206652
PubChem CID:	80277980
Reduced:	ON4H10C13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	242.053214
ΔH_f, kcal/mol:	90.21
Dipole, Da:	4.75
IP(EA), eV:	-9.8(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chlorothiophen-2-yl)-5,5-dimethylcyclohex-2-en-1-ol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCCN2C=CN=C2C#N)C#N

DOS

IR

Vibrations