Geometry & MOs

Info

ID:	15225
PubChem CID:	433741
Reduced:	O5C21H32 (1)
Stoich.:	A5B21C32 (1)
Weight, g/mol:	364.224974
ΔH_f, kcal/mol:	-226.09
Dipole, Da:	3.74
IP(EA), eV:	-10.1(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1b,9-dihydroxy-4,7a-dimethyl-9a-propan-2-yl-1a,2,3,3a,5,6,7,9-octahydrophenanthro[1,2-b]oxirene-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C12C(C=C3C4(CCCC(C4CCC3(C1O2)O)(C)C(=O)OC)C)O

DOS

IR

Vibrations