Geometry & MOs

Info

ID:	400386
PubChem CID:	135047754
Reduced:	OC14H16 (1)
Stoich.:	AB14C16 (1)
Weight, g/mol:	319.22732
ΔH_f, kcal/mol:	-4.05
Dipole, Da:	0.66
IP(EA), eV:	-8.6(0.38)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3aS,7aR)-1-[(Z)-4,5-dimethylhex-2-en-2-yl]-5-methoxycarbonyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-olate

Drug info:

PubChemData

Smile

CC1=CC[C@@H](C=C1OC)C2=CC=CC=C2

DOS

IR

Vibrations