Geometry & MOs

Info

ID:	156034
PubChem CID:	56368847
Reduced:	BrClN3O3H19C21 (1)
Stoich.:	ABC3D3E19F21 (1)
Weight, g/mol:	397.13649
ΔH_f, kcal/mol:	-29.47
Dipole, Da:	4.84
IP(EA), eV:	-8.7(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-1-ethylpyrrole-2-carbonyl)-N-pentylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCC2=CC=NC=C2)OC)NC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations