Geometry & MOs

Info

ID:	339219
PubChem CID:	127260598
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-66.76
Dipole, Da:	3.35
IP(EA), eV:	-9.59(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations