Geometry & MOs

Info

ID:	47887
PubChem CID:	10535742
Reduced:	O3C11H12 (1)
Stoich.:	A3B11C12 (1)
Weight, g/mol:	192.078644
ΔH_f, kcal/mol:	-92.13
Dipole, Da:	1.55
IP(EA), eV:	-10.19(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5R)-2-(4-methoxyphenyl)-3,6-dioxabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C(C=C)O

DOS

IR

Vibrations