Geometry & MOs

Info

ID:	279111
PubChem CID:	103841241
Reduced:	ClN2O3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-62.49
Dipole, Da:	2.36
IP(EA), eV:	-9.53(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(tricyclo[3.2.1.02,4]octane-3-carbonyl)anilino]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=C(N=CC=C2)Cl

DOS

IR

Vibrations