Geometry & MOs

Info

ID:	373277
PubChem CID:	131312594
Reduced:	ClISO2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	212.094963
ΔH_f, kcal/mol:	-41.22
Dipole, Da:	3.19
IP(EA), eV:	-9.0(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-methyl-1H-indol-6-yl)-4-oxobutanenitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC2=C1SC(=C2I)CCl

DOS

IR

Vibrations