Geometry & MOs

Info

ID:	168691
PubChem CID:	75003280
Reduced:	O5C26H32 (1)
Stoich.:	A5B26C32 (1)
Weight, g/mol:	440.183503
ΔH_f, kcal/mol:	-215.1
Dipole, Da:	5.31
IP(EA), eV:	-8.98(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetyl-7-acetyloxy-3a,6,9b-trimethyl-2-oxo-5,10,11,11a-tetrahydro-3H-naphtho[2,1-e][1]benzofuran-8-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C2C(=C1)CC=C3C2(CCC4C3(CCC(=O)C4(C)C)C)C)OC(=O)C

DOS

IR

Vibrations