Geometry & MOs

Info

ID:	203498
PubChem CID:	79838345
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	319.92344
ΔH_f, kcal/mol:	-121.18
Dipole, Da:	3.84
IP(EA), eV:	-8.66(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dibromo-3,3-dimethyl-1,2-dihydroinden-1-ol

Drug info:

PubChemData

Smile

CC1(C[C@H](C2=CC3=C(C=C21)OCCCO3)O)C

DOS

IR

Vibrations