Geometry & MOs

Info

ID:	156238
PubChem CID:	56369779
Reduced:	BrClN3O3H13C15 (1)
Stoich.:	ABC3D3E13F15 (1)
Weight, g/mol:	380.03717
ΔH_f, kcal/mol:	-67.3
Dipole, Da:	4.47
IP(EA), eV:	-8.62(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-bromo-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)NC(=O)C2=C(N=CC(=C2)Br)Cl)C(=O)OC

DOS

IR

Vibrations