Geometry & MOs

Info

ID:	82978
PubChem CID:	49856921
Reduced:	O3C24H34 (1)
Stoich.:	A3B24C34 (1)
Weight, g/mol:	370.250795
ΔH_f, kcal/mol:	-149.43
Dipole, Da:	3.99
IP(EA), eV:	-9.71(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3aR,4S,7aR)-1-[(E,2R,6R)-6-hydroxyhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl] benzoate

Drug info:

PubChemData

Smile

C[C@@H](C/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2OC(=O)C3=CC=CC=C3)C)O

DOS

IR

Vibrations