Geometry & MOs

Info

ID:	393044
PubChem CID:	135019102
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	262.146999
ΔH_f, kcal/mol:	-125.25
Dipole, Da:	6.15
IP(EA), eV:	-9.87(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-benzyl-1-methyl-2H-indol-3-yl]acetonitrile

Drug info:

PubChemData

Smile

CCO[C@@H]1[C@@](CC(=O)N1CC2=CC=CC=C2)(C#N)C(=O)OCC

DOS

IR

Vibrations