Geometry & MOs

Info

ID:	262434
PubChem CID:	103292984
Reduced:	ClNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	334.99238
ΔH_f, kcal/mol:	-127.88
Dipole, Da:	3.88
IP(EA), eV:	-9.07(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNCCCCC(=O)O

DOS

IR

Vibrations