Geometry & MOs

Info

ID:	268322
PubChem CID:	103598912
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	325.099731
ΔH_f, kcal/mol:	-63.35
Dipole, Da:	3.78
IP(EA), eV:	-8.39(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-imidazol-1-ylpyridin-4-yl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C=CC(=O)N2CCC3=C(C2)C=NN3)OCC

DOS

IR

Vibrations