Geometry & MOs

Info

ID:	216830
PubChem CID:	85086848
Reduced:	O3C8H9 (2)
Stoich.:	A3B8C9 (2)
Weight, g/mol:	306.146724
ΔH_f, kcal/mol:	-235.78
Dipole, Da:	6.1
IP(EA), eV:	-10.31(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dihydroxy-7,7a-dimethyl-2,6,7,7b-tetrahydronaphtho[1,2-b]oxiren-1a-yl)prop-2-enyl acetate

Drug info:

PubChemData

Smile

CC1C(C(=O)OC1C(C)C(=O)OC)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations