Geometry & MOs

Info

ID:	372950
PubChem CID:	131307400
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	200.094963
ΔH_f, kcal/mol:	12.61
Dipole, Da:	5.8
IP(EA), eV:	-8.57(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-(7-methyl-1H-indol-3-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CNC2=C1C=C(C=C2)C(C)(C#N)O

DOS

IR

Vibrations