Geometry & MOs

Info

ID:	195203
PubChem CID:	78654298
Reduced:	ClFN2O6H12C16 (1)
Stoich.:	ABC2D6E12F16 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-150.49
Dipole, Da:	6.03
IP(EA), eV:	-9.26(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-(1-benzylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

DOS

IR

Vibrations