Geometry & MOs

Info

ID:	283683
PubChem CID:	103998553
Reduced:	BrClN2O2C12H14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-72.53
Dipole, Da:	4.13
IP(EA), eV:	-9.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2,3-dihydro-1H-isoindole-5-carbonyl(methyl)amino]acetate

Drug info:

PubChemData

Smile

CNC(=O)CCN(C)C(=O)C1=C(C(=CC=C1)Br)Cl

DOS

IR

Vibrations