Geometry & MOs

Info

ID:	30235
PubChem CID:	840898
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	-31.5
Dipole, Da:	4.27
IP(EA), eV:	-8.77(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C=NN2)C=NNC(=O)OC

DOS

IR

Vibrations