Geometry & MOs

Info

ID:	338642
PubChem CID:	127259653
Reduced:	NO3H10F11C15 (1)
Stoich.:	AB3C10D11E15 (1)
Weight, g/mol:	330.121572
ΔH_f, kcal/mol:	-624.16
Dipole, Da:	1.63
IP(EA), eV:	-10.12(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCCO)O/C(=C(/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)\F)/F

DOS

IR

Vibrations