Geometry & MOs

Info

ID:	139839
PubChem CID:	52606677
Reduced:	ClFN3O3C23H27 (1)
Stoich.:	ABC3D3E23F27 (1)
Weight, g/mol:	442.157182
ΔH_f, kcal/mol:	-145.87
Dipole, Da:	2.95
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2S)-2-methylmorpholin-4-yl]ethyl]-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCO1)[C@H](CNC(=O)CNC(=O)C2=CC=CC(=C2)C)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations