Geometry & MOs

Info

ID:	339218
PubChem CID:	127260597
Reduced:	ClO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-166.16
Dipole, Da:	2.41
IP(EA), eV:	-10.25(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-2-methylidene-5-(phenylmethoxymethyl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(=C)C(C)(C(=O)OC1CCCC(C1)O)Cl

DOS

IR

Vibrations