Geometry & MOs

Info

ID:	200982
PubChem CID:	79470234
Reduced:	ClON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	328.11503
ΔH_f, kcal/mol:	-41.85
Dipole, Da:	4.35
IP(EA), eV:	-9.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-ethyl-N-(2-methylbutyl)-1-propylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)CN(CC)C(=O)C1=C(C=NC=C1)Cl

DOS

IR

Vibrations