Geometry & MOs

Info

ID:	342557
PubChem CID:	127265712
Reduced:	O2N4H12C15 (1)
Stoich.:	A2B4C12D15 (1)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	99.6
Dipole, Da:	3.44
IP(EA), eV:	-9.33(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxy-4-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C=CC2=NC3=C(C=C2)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations