Geometry & MOs

Info

ID:	34665
PubChem CID:	7978796
Reduced:	ClFN3O3C20H23 (1)
Stoich.:	ABC3D3E20F23 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-133.51
Dipole, Da:	8.44
IP(EA), eV:	-8.88(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)F)Cl

DOS

IR

Vibrations