Geometry & MOs

Info

ID:	156073
PubChem CID:	56369020
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	441.0255
ΔH_f, kcal/mol:	-51.16
Dipole, Da:	4.89
IP(EA), eV:	-8.75(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-bromo-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CC(=O)C1CC(=NN1C2=CC=CC=C2)C(=O)NCCC3=CC(=CC=C3)O

DOS

IR

Vibrations