Geometry & MOs

Info

ID:	156027
PubChem CID:	56368825
Reduced:	BrClO2N3C19H21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	419.12084
ΔH_f, kcal/mol:	-30.08
Dipole, Da:	4.02
IP(EA), eV:	-9.05(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(CNC(=O)C2=C(N=CC(=C2)Br)Cl)N3CCCC3

DOS

IR

Vibrations