Geometry & MOs

Info

ID:	139469
PubChem CID:	52537550
Reduced:	ClFN3O3H19C22 (1)
Stoich.:	ABC3D3E19F22 (1)
Weight, g/mol:	307.132077
ΔH_f, kcal/mol:	-97.42
Dipole, Da:	2.24
IP(EA), eV:	-9.06(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-phenyl-N-phenylmethoxy-2-pyrazol-1-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H](C)C3=CC4=C(C=C3)NC(=O)CC4

DOS

IR

Vibrations