Geometry & MOs

Info

ID:	156333
PubChem CID:	56370135
Reduced:	BrClN2O2C18H18 (1)
Stoich.:	ABC2D2E18F18 (1)
Weight, g/mol:	391.08954
ΔH_f, kcal/mol:	-37.71
Dipole, Da:	3.99
IP(EA), eV:	-9.59(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(6-cyclopentyloxypyridin-3-yl)methyl]-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1(CNC(=O)C2=C(N=CC(=C2)Br)Cl)C3=CC=CC=C3

DOS

IR

Vibrations