Geometry & MOs

Info

ID:	408441
PubChem CID:	135081207
Reduced:	OC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	156.11503
ΔH_f, kcal/mol:	-77.55
Dipole, Da:	3.3
IP(EA), eV:	-8.85(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1S,6S)-6-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol

Drug info:

PubChemData

Smile

CC1(C[C@@H]2[C@H](O1)OC3=CC=CC=C23)C

DOS

IR

Vibrations