Geometry & MOs

Info

ID:	283850
PubChem CID:	104012642
Reduced:	ISN2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	267.083019
ΔH_f, kcal/mol:	76.69
Dipole, Da:	5.43
IP(EA), eV:	-9.05(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-amino-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

CCC(=C(C1=CSC(=C1)I)N)C#N

DOS

IR

Vibrations