Geometry & MOs

Info

ID:	150045
PubChem CID:	53789730
Reduced:	ClFN3O3C22H25 (1)
Stoich.:	ABC3D3E22F25 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	-84.8
Dipole, Da:	3.27
IP(EA), eV:	-8.68(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzyl-3-methylindol-6-yl)acetic acid

Drug info:

PubChemData

Smile

CC(C(=O)N(CC=C)CC=C)NC1=CC(=C(C=C1Cl)F)N2C(=CC(=C2O)C(=C)C)O

DOS

IR

Vibrations