Geometry & MOs

Info

ID:	262432
PubChem CID:	103292969
Reduced:	ClN2O4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	314.103335
ΔH_f, kcal/mol:	-80.31
Dipole, Da:	9.2
IP(EA), eV:	-9.38(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetamido-3-[(2-chloro-6-methoxyphenyl)methylamino]propanoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNCC2=CC(=NO2)C(=O)O

DOS

IR

Vibrations