Geometry & MOs

Info

ID:	390747
PubChem CID:	135000707
Reduced:	SnO2C22H46 (1)
Stoich.:	AB2C22D46 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-146.09
Dipole, Da:	0.74
IP(EA), eV:	-8.32(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5S,6S)-5-phenylmethoxybicyclo[4.1.0]heptan-2-ol

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C(/C=C\OCCCO)C(C)(C)C

DOS

IR

Vibrations