Geometry & MOs

Info

ID:	156199
PubChem CID:	56369491
Reduced:	BrClO2N3H15C20 (1)
Stoich.:	ABC2D3E15F20 (1)
Weight, g/mol:	405.02997
ΔH_f, kcal/mol:	-4.1
Dipole, Da:	5.9
IP(EA), eV:	-8.77(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2)NC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations