Geometry & MOs

Info

ID:	154706
PubChem CID:	56314211
Reduced:	BrFO2N3H15C20 (1)
Stoich.:	ABC2D3E15F20 (1)
Weight, g/mol:	448.166604
ΔH_f, kcal/mol:	-44.39
Dipole, Da:	3.57
IP(EA), eV:	-9.37(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations