Geometry & MOs

Info

ID:	269576
PubChem CID:	103618020
Reduced:	INO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	346.99238
ΔH_f, kcal/mol:	-144.61
Dipole, Da:	1.22
IP(EA), eV:	-9.2(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-bromo-5-chlorobenzoyl)-propan-2-ylamino]acetate

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)OC)C(=O)C1=C(C=CC(=C1)I)O

DOS

IR

Vibrations