Geometry & MOs

Info

ID:	213956
PubChem CID:	81065589
Reduced:	BrCl2N2O3C13H15 (1)
Stoich.:	AB2C2D3E13F15 (1)
Weight, g/mol:	181.110279
ΔH_f, kcal/mol:	-136.66
Dipole, Da:	3.1
IP(EA), eV:	-9.31(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pyrrol-1-ylmethyl)pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)NC1=C(C=C(C=C1Cl)Br)Cl

DOS

IR

Vibrations