Geometry & MOs

Info

ID:	404517
PubChem CID:	135066579
Reduced:	O5C18H24 (1)
Stoich.:	A5B18C24 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-203.92
Dipole, Da:	1.6
IP(EA), eV:	-8.83(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5R)-3-phenyl-1-bicyclo[3.1.0]hex-3-enyl]methyl acetate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C[C@@]1(C2=CC=C(C=C2)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations