Geometry & MOs

Info

ID:	38892
PubChem CID:	8138121
Reduced:	BrO3N4H13C14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-47.15
Dipole, Da:	2.88
IP(EA), eV:	-9.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)CNC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations