Geometry & MOs

Info

ID:	291625
PubChem CID:	113452446
Reduced:	NOF3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	284.056385
ΔH_f, kcal/mol:	-138.05
Dipole, Da:	2.06
IP(EA), eV:	-8.54(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-4-chlorobut-2-enyl]-3-methoxy-4-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)F)C2=C(C=CC(=C2)N)F)F

DOS

IR

Vibrations