Geometry & MOs

Info

ID:	123633
PubChem CID:	50857157
Reduced:	BrON3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	28.01
Dipole, Da:	8.54
IP(EA), eV:	-8.92(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenoxy)-N-[(E)-(5-methyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CN1C(C)C)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)Br

DOS

IR

Vibrations