Geometry & MOs

Info

ID:	393378
PubChem CID:	135020351
Reduced:	BrNOH18C22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	238.19328
ΔH_f, kcal/mol:	97.05
Dipole, Da:	1.74
IP(EA), eV:	-9.13(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3aS,4aS,8aS,8bS)-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(C2=CC=CC=C2Br)O/N=C/C3=CC=CC=C3

DOS

IR

Vibrations