Geometry & MOs

Info

ID:	437089
PubChem CID:	135214690
Reduced:	FNSO2C17H26 (1)
Stoich.:	ABCD2E17F26 (1)
Weight, g/mol:	214.135765
ΔH_f, kcal/mol:	-104.88
Dipole, Da:	1.8
IP(EA), eV:	-8.35(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)phenol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)F)OCCC2CC2)N[S@@](=O)C(C)(C)C

DOS

IR

Vibrations