Geometry & MOs

Info

ID:	371919
PubChem CID:	131279965
Reduced:	O3H5N5C8 (1)
Stoich.:	A3B5C5D8 (1)
Weight, g/mol:	200.094963
ΔH_f, kcal/mol:	22.41
Dipole, Da:	3.89
IP(EA), eV:	-9.31(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-1,3-dimethylindol-5-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=COC2=NC=C(N21)C3=NNN=C3C(=O)O

DOS

IR

Vibrations