Geometry & MOs

Info

ID:	56213
PubChem CID:	17422597
Reduced:	ClFNO2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	456.10486
ΔH_f, kcal/mol:	-92.37
Dipole, Da:	5.22
IP(EA), eV:	-8.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations