Geometry & MOs

Info

ID:	63180
PubChem CID:	26746618
Reduced:	ClN2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	463.174336
ΔH_f, kcal/mol:	-99.34
Dipole, Da:	8.44
IP(EA), eV:	-9.56(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-methoxyphenyl)-N-[3-oxo-3-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC(=O)O[C@@H](C)C(=O)NC1=CC(=C(C=C1)C#N)Cl

DOS

IR

Vibrations