Geometry & MOs

Info

ID:	288040
PubChem CID:	104309688
Reduced:	ClNO3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	281.081871
ΔH_f, kcal/mol:	-128.31
Dipole, Da:	1.83
IP(EA), eV:	-9.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(4-propoxyindol-1-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C=C1)CC(C(=O)O)Cl

DOS

IR

Vibrations