Geometry & MOs

Info

ID:	270335
PubChem CID:	103636104
Reduced:	BrN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	260.01604
ΔH_f, kcal/mol:	-40.72
Dipole, Da:	1.64
IP(EA), eV:	-8.68(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-ethoxy-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NC2=CC=CC=C2O)Br

DOS

IR

Vibrations