Geometry & MOs

Info

ID:	213826
PubChem CID:	81065160
Reduced:	ClNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	292.038148
ΔH_f, kcal/mol:	-174.96
Dipole, Da:	5.66
IP(EA), eV:	-9.36(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=C(C=CC(=C1)Cl)OC

DOS

IR

Vibrations