Geometry & MOs

Info

ID:	125470
PubChem CID:	50925480
Reduced:	ClNOF3H11C13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	308.993504
ΔH_f, kcal/mol:	-188.14
Dipole, Da:	4.36
IP(EA), eV:	-8.77(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dichloro-3-(trifluoromethyl)-2,4-dihydro-1H-cyclopenta[b]indol-3-ol

Drug info:

PubChemData

Smile

C1CC2=C(C(C1)(C(F)(F)F)O)NC3=C2C=CC=C3Cl

DOS

IR

Vibrations