Geometry & MOs

Info

ID:	71081
PubChem CID:	48414262
Reduced:	BrON5H14C15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	314.117904
ΔH_f, kcal/mol:	65.6
Dipole, Da:	1.57
IP(EA), eV:	-9.42(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-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)C2=CC=C(C=C2)N3C=C(C=N3)Br

DOS

IR

Vibrations