Geometry & MOs

Info

ID:	70816
PubChem CID:	48413908
Reduced:	O2F3N5H16C18 (1)
Stoich.:	A2B3C5D16E18 (1)
Weight, g/mol:	332.127326
ΔH_f, kcal/mol:	-136.6
Dipole, Da:	9.56
IP(EA), eV:	-9.52(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations