Geometry & MOs

Info

ID:	29099
PubChem CID:	831633
Reduced:	ClOSC8H9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	302.090272
ΔH_f, kcal/mol:	-24.84
Dipole, Da:	2.25
IP(EA), eV:	-9.64(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(2-methoxyphenyl)methyl]-3-(5-nitrofuran-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCC(=O)C1=CC=C(S1)Cl

DOS

IR

Vibrations