Geometry & MOs

Info

ID:	48613
PubChem CID:	11109957
Reduced:	O2C21H34 (1)
Stoich.:	A2B21C34 (1)
Weight, g/mol:	318.027056
ΔH_f, kcal/mol:	-113.98
Dipole, Da:	1.44
IP(EA), eV:	-8.92(1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-3-(furan-2-yl)-1-(trifluoromethyl)-3,4-dihydroisochromen-1-ol

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC)CC=C4[C@@]3(CC[C@@H](C4)OC)C

DOS

IR

Vibrations