Geometry & MOs

Info

ID:	37659
PubChem CID:	8022885
Reduced:	OH4C5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	391.01677
ΔH_f, kcal/mol:	-98.74
Dipole, Da:	6.8
IP(EA), eV:	-9.34(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1C(=CC(=O)O2)C)OC(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations