Geometry & MOs

Info

ID:	216450
PubChem CID:	85086255
Reduced:	O6C13H18 (1)
Stoich.:	A6B13C18 (1)
Weight, g/mol:	270.146724
ΔH_f, kcal/mol:	-230.66
Dipole, Da:	5.27
IP(EA), eV:	-9.4(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetyloxy-6-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl) acetate

Drug info:

PubChemData

Smile

CC=CCOC1=C(C(=O)OC1C2COC(O2)(C)C)O

DOS

IR

Vibrations