Geometry & MOs

Info

ID:	309935
PubChem CID:	126568385
Reduced:	ClO2N4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	406.146347
ΔH_f, kcal/mol:	26.25
Dipole, Da:	4.1
IP(EA), eV:	-8.94(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,2-thiazol-5-yl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC2=NN=CO2)NC(=O)/C=C/C3=C(C=CN=C3)Cl

DOS

IR

Vibrations