Geometry & MOs

Info

ID:	265498
PubChem CID:	103525722
Reduced:	OSN5C12H17 (1)
Stoich.:	ABC5D12E17 (1)
Weight, g/mol:	303.08639
ΔH_f, kcal/mol:	1.29
Dipole, Da:	6.0
IP(EA), eV:	-8.3(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[2-(3-methylphenyl)ethylamino]-4-methylsulfanylthiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C(=C(S1)N2CCC(C2)N)C#N)N

DOS

IR

Vibrations