Geometry & MOs

Info

ID:	158814
PubChem CID:	56479366
Reduced:	BrFN2O2C14H14 (1)
Stoich.:	ABC2D2E14F14 (1)
Weight, g/mol:	344.104003
ΔH_f, kcal/mol:	-59.04
Dipole, Da:	0.75
IP(EA), eV:	-9.74(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NO1)NC(=O)C2=CC(=CC(=C2)Br)F

DOS

IR

Vibrations