Geometry & MOs

Info

ID:	399435
PubChem CID:	135040273
Reduced:	NO2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	214.146999
ΔH_f, kcal/mol:	-63.65
Dipole, Da:	4.16
IP(EA), eV:	-9.84(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-1-methyl-3-propan-2-yl-2H-indol-3-yl]acetonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CN=CO2)O

DOS

IR

Vibrations