Geometry & MOs

Info

ID:	279196
PubChem CID:	103841993
Reduced:	BrClNO3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	377.00295
ΔH_f, kcal/mol:	-117.71
Dipole, Da:	1.68
IP(EA), eV:	-9.88(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3-bromo-4-chlorobenzoyl)-(2-methoxyethyl)amino]propanoate

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)OC)C(=O)C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations