Geometry & MOs

Info

ID:	404611
PubChem CID:	135067696
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	284.123486
ΔH_f, kcal/mol:	-77.91
Dipole, Da:	4.95
IP(EA), eV:	-8.66(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,4aR,10bS)-10b-methyl-4-thiophen-2-yl-1,2,4,4a,5,6-hexahydrobenzo[f]isochromene

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OC)C=O)O

DOS

IR

Vibrations