Geometry & MOs

Info

ID:	401392
PubChem CID:	135051139
Reduced:	ClNF3O3H9C11 (1)
Stoich.:	ABC3D3E9F11 (1)
Weight, g/mol:	311.092436
ΔH_f, kcal/mol:	-258.83
Dipole, Da:	7.15
IP(EA), eV:	-9.57(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-chloroprop-2-enyl-(3-methoxy-3-oxopropyl)amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1C(=O)CCl)NC(=O)C(F)(F)F

DOS

IR

Vibrations