Geometry & MOs

Info

ID:	373672
PubChem CID:	131318580
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	200.094963
ΔH_f, kcal/mol:	16.52
Dipole, Da:	2.86
IP(EA), eV:	-9.29(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethyl-7-hydroxyindol-2-yl)acetonitrile

Drug info:

PubChemData

Smile

C1CNCC(=C1C#N)C2=CC(=CC=C2)O

DOS

IR

Vibrations