Geometry & MOs

Info

ID:	46335
PubChem CID:	10523924
Reduced:	ClFN3O3C18H21 (1)
Stoich.:	ABC3D3E18F21 (1)
Weight, g/mol:	381.00006
ΔH_f, kcal/mol:	-137.52
Dipole, Da:	11.86
IP(EA), eV:	-9.03(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-2-oxochromen-3-yl)-N-prop-2-ynylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC4C[NH3+].[Cl-]

DOS

IR

Vibrations