Geometry & MOs

Info

ID:	70721
PubChem CID:	48413772
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	348.078932
ΔH_f, kcal/mol:	-72.97
Dipole, Da:	3.17
IP(EA), eV:	-9.59(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CC3CCCC(C2)C3=O

DOS

IR

Vibrations