Geometry & MOs

Info

ID:	21829
PubChem CID:	591744
Reduced:	SN2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	192.07212
ΔH_f, kcal/mol:	30.05
Dipole, Da:	3.96
IP(EA), eV:	-8.58(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC(=C2C#N)N

DOS

IR

Vibrations