Geometry & MOs

Info

ID:	373080
PubChem CID:	131309536
Reduced:	SO3H10C11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	172.100048
ΔH_f, kcal/mol:	-69.64
Dipole, Da:	0.97
IP(EA), eV:	-8.68(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-methyl-2,3-dihydro-1H-indol-5-yl]acetonitrile

Drug info:

PubChemData

Smile

COC1=CSC2=C(C=C(C=C12)C=O)CO

DOS

IR

Vibrations