Geometry & MOs

Info

ID:	429788
PubChem CID:	135169840
Reduced:	ON5C10H11 (1)
Stoich.:	AB5C10D11 (1)
Weight, g/mol:	311.070403
ΔH_f, kcal/mol:	104.73
Dipole, Da:	3.1
IP(EA), eV:	-8.55(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-3-methyl-2-[N-thieno[2,3-c]pyridin-4-yl-C-(trifluoromethyl)carbonimidoyl]buta-1,3-dien-1-amine

Drug info:

PubChemData

Smile

CONC1=CC(=C(C=C1)N2NCC=N2)C#N

DOS

IR

Vibrations