Geometry & MOs

Info

ID:	342417
PubChem CID:	127265242
Reduced:	ClN4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	237.08235
ΔH_f, kcal/mol:	92.17
Dipole, Da:	1.42
IP(EA), eV:	-9.33(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxyphenyl)-N-(2-methylsulfanylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)Cl)C=CC2=NC=NC=C2

DOS

IR

Vibrations