Geometry & MOs

Info

ID:	9620
PubChem CID:	91627
Reduced:	ClNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	283.097521
ΔH_f, kcal/mol:	-133.41
Dipole, Da:	6.45
IP(EA), eV:	-9.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(2-chloroacetyl)-2,6-diethylanilino)acetic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)N(CC(=O)O)C(=O)CCl

DOS

IR

Vibrations