Geometry & MOs

Info

ID:	155921
PubChem CID:	56368300
Reduced:	SO2N5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	387.06947
ΔH_f, kcal/mol:	-18.45
Dipole, Da:	3.88
IP(EA), eV:	-8.96(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-bromo-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CNC(=O)NC(C2=CC(=CC=C2)OC)C3=NC=CN3C

DOS

IR

Vibrations