Geometry & MOs

Info

ID:	21463
PubChem CID:	588458
Reduced:	BrO2N3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	385.04259
ΔH_f, kcal/mol:	21.3
Dipole, Da:	7.65
IP(EA), eV:	-8.56(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(=O)NN=CC2=CNC3=CC=CC=C32)Br

DOS

IR

Vibrations