Geometry & MOs

Info

ID:	26120
PubChem CID:	639029
Reduced:	O5C21H26 (1)
Stoich.:	A5B21C26 (1)
Weight, g/mol:	330.183109
ΔH_f, kcal/mol:	-219.31
Dipole, Da:	3.27
IP(EA), eV:	-9.29(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C2C(=C1)C(=O)C[C@H]3[C@]2(CCCC3(C)C)C)OC(=O)C

DOS

IR

Vibrations