Geometry & MOs

Info

ID:	49108
PubChem CID:	11528719
Reduced:	ClN2O3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	228.066555
ΔH_f, kcal/mol:	-62.38
Dipole, Da:	3.12
IP(EA), eV:	-9.79(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-methoxyphenyl)-2-chloropropanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=N[C@H]([C@@H](ON2)O)O)Cl

DOS

IR

Vibrations