Geometry & MOs

Info

ID:	26032
PubChem CID:	636500
Reduced:	O7C23H30 (1)
Stoich.:	A7B23C30 (1)
Weight, g/mol:	238.19328
ΔH_f, kcal/mol:	-262.12
Dipole, Da:	5.34
IP(EA), eV:	-9.07(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4aR,6R,8aS)-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-1,4a-diol

Drug info:

PubChemData

Smile

CC1=C[C@H]([C@@]2([C@@H]([C@@H](C1)OC(=O)C3=CC(=C(C=C3)O)OC)[C@@](CC2=O)(C(C)C)O)C)O

DOS

IR

Vibrations