Geometry & MOs

Info

ID:	372179
PubChem CID:	131294192
Reduced:	ClON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	220.040341
ΔH_f, kcal/mol:	8.26
Dipole, Da:	6.58
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-7-methyl-1H-indol-3-yl)-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NC=C2C(C#N)O)Cl

DOS

IR

Vibrations