Geometry & MOs

Info

ID:	156272
PubChem CID:	56369910
Reduced:	BrClO4N5H11C16 (1)
Stoich.:	ABC4D5E11F16 (1)
Weight, g/mol:	404.08479
ΔH_f, kcal/mol:	-80.11
Dipole, Da:	1.29
IP(EA), eV:	-9.48(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromo-1-ethylpyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)NC(=O)CNC(=O)C3=C(N=CC(=C3)Br)Cl)C(=O)NNC2=O

DOS

IR

Vibrations