Geometry & MOs

Info

ID:	372178
PubChem CID:	131294182
Reduced:	ClFOH4C5 (2)
Stoich.:	ABCD4E5 (2)
Weight, g/mol:	220.040341
ΔH_f, kcal/mol:	-184.64
Dipole, Da:	1.59
IP(EA), eV:	-9.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-5-methyl-1H-indol-3-yl)-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

CC(=O)C(C1=CC(=C(C=C1)OC(F)F)Cl)Cl

DOS

IR

Vibrations