Geometry & MOs

Info

ID:	26119
PubChem CID:	639028
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	358.178024
ΔH_f, kcal/mol:	-133.6
Dipole, Da:	2.23
IP(EA), eV:	-8.95(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4bR,8aR)-3-acetyloxy-4b,8,8-trimethyl-10-oxo-6,7,8a,9-tetrahydro-5H-phenanthren-2-yl] acetate

Drug info:

PubChemData

Smile

C[C@@]12CCCC([C@H]1CC(=O)C3=CC(=C(C=C23)O)O)(C)C

DOS

IR

Vibrations