Geometry & MOs

Info

ID:	283839
PubChem CID:	104011788
Reduced:	Cl2N2H6C9 (1)
Stoich.:	A2B2C6D9 (1)
Weight, g/mol:	222.028541
ΔH_f, kcal/mol:	48.62
Dipole, Da:	4.9
IP(EA), eV:	-9.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)/C(=C\C#N)/N

DOS

IR

Vibrations