Geometry & MOs

Info

ID:	156230
PubChem CID:	56369746
Reduced:	BrClO2N4H16C17 (1)
Stoich.:	ABC2D4E16F17 (1)
Weight, g/mol:	423.03492
ΔH_f, kcal/mol:	-21.61
Dipole, Da:	3.36
IP(EA), eV:	-9.92(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-bromo-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=C(N=CC(=C2)Br)Cl)C(=O)C3=CC=NC=C3

DOS

IR

Vibrations