Geometry & MOs

Info

ID:	155961
PubChem CID:	56368494
Reduced:	BrClO2N3C18H19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	363.05824
ΔH_f, kcal/mol:	-33.3
Dipole, Da:	3.08
IP(EA), eV:	-8.45(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[acetyl(methyl)amino]phenyl]-4-bromo-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N2CCOCC2)NC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations