Geometry & MOs

Info

ID:	261410
PubChem CID:	103231412
Reduced:	NCl2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	239.071306
ΔH_f, kcal/mol:	-72.46
Dipole, Da:	5.55
IP(EA), eV:	-8.58(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-methylanilino)-2-cyclopropylacetic acid

Drug info:

PubChemData

Smile

C/C(=C/CNC1=C(C=CC(=C1)Cl)Cl)/C(=O)O

DOS

IR

Vibrations