Geometry & MOs

Info

ID:	184927
PubChem CID:	77230866
Reduced:	NOCl2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	213.055656
ΔH_f, kcal/mol:	-21.9
Dipole, Da:	4.81
IP(EA), eV:	-8.92(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-aminoethyl)-5-chlorobenzoate

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=C(C=CC(=C21)Cl)Cl)C=O

DOS

IR

Vibrations