Geometry & MOs

Info

ID:	374717
PubChem CID:	131342537
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	200.094963
ΔH_f, kcal/mol:	9.02
Dipole, Da:	3.53
IP(EA), eV:	-8.66(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-3-(4-methyl-1H-indol-3-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(N2)C(CC#N)O

DOS

IR

Vibrations