Geometry & MOs

Info

ID:	13402
PubChem CID:	229314
Reduced:	ClNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	251.071306
ΔH_f, kcal/mol:	-88.71
Dipole, Da:	2.88
IP(EA), eV:	-8.52(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-methyl-1H-indol-3-yl)butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)Cl)CCCC(=O)O

DOS

IR

Vibrations