Geometry & MOs

Info

ID:	374325
PubChem CID:	131326826
Reduced:	SO3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	158.084398
ΔH_f, kcal/mol:	-98.47
Dipole, Da:	4.47
IP(EA), eV:	-8.63(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2,3-dihydro-1H-indole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1CC(=O)O)OC)C=CS2

DOS

IR

Vibrations