Geometry & MOs

Info

ID:	195605
PubChem CID:	78709565
Reduced:	ClFNO4H15C17 (1)
Stoich.:	ABCD4E15F17 (1)
Weight, g/mol:	390.053798
ΔH_f, kcal/mol:	-192.63
Dipole, Da:	2.17
IP(EA), eV:	-9.86(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] 3-cyanobenzoate

Drug info:

PubChemData

Smile

C1C=CCC2C1C(=O)N(C2=O)CC(=O)OCC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations