Geometry & MOs

Info

ID:	126564
PubChem CID:	50968131
Reduced:	OF3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	-170.84
Dipole, Da:	2.22
IP(EA), eV:	-8.75(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methyl-5-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CCNCC2=NC(=CC(=N2)C(F)(F)F)C)C

DOS

IR

Vibrations