Geometry & MOs

Info

ID:	199120
PubChem CID:	79201412
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	300.087685
ΔH_f, kcal/mol:	-159.22
Dipole, Da:	6.22
IP(EA), eV:	-9.13(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC(=O)N)NC(=O)CCCO

DOS

IR

Vibrations