Geometry & MOs

Info

ID:	339220
PubChem CID:	127260599
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	156.11503
ΔH_f, kcal/mol:	-67.97
Dipole, Da:	2.59
IP(EA), eV:	-9.56(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(2-hydroxyethylidene)-1-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C=C1CC[C@@H](C[C@H]1O)COCC2=CC=CC=C2

DOS

IR

Vibrations