Geometry & MOs

Info

ID:	125603
PubChem CID:	50929788
Reduced:	NCl2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	410.9873
ΔH_f, kcal/mol:	-137.25
Dipole, Da:	4.14
IP(EA), eV:	-9.5(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-bromophenyl)methylamino]-2-oxoethyl] 4-chloro-2-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Cl)C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations