Geometry & MOs

Info

ID:	169916
PubChem CID:	75166451
Reduced:	O7C24H30 (1)
Stoich.:	A7B24C30 (1)
Weight, g/mol:	404.183503
ΔH_f, kcal/mol:	-313.99
Dipole, Da:	7.83
IP(EA), eV:	-10.1(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5,7-trihydroxy-2,6,7-trimethyl-10-oxo-9-oxatricyclo[6.3.1.01,5]dodecan-6-yl)methyl benzoate

Drug info:

PubChemData

Smile

CC1CC(C2(C13CC(C(C2(C)COC(=O)C4=CC=CC=C4)C)OC(=O)C3)O)OC(=O)C

DOS

IR

Vibrations