Geometry & MOs

Info

ID:	125605
PubChem CID:	50929790
Reduced:	BrClNO4H15C17 (1)
Stoich.:	ABCD4E15F17 (1)
Weight, g/mol:	401.06417
ΔH_f, kcal/mol:	-122.98
Dipole, Da:	4.46
IP(EA), eV:	-9.44(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-chloro-2-methoxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations