Geometry & MOs

Info

ID:	122504
PubChem CID:	50809686
Reduced:	O2F3N4C14H15 (1)
Stoich.:	A2B3C4D14E15 (1)
Weight, g/mol:	328.11471
ΔH_f, kcal/mol:	-149.29
Dipole, Da:	2.97
IP(EA), eV:	-10.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2CCCN2C(=O)C3=CC(=NN3C)C(F)(F)F

DOS

IR

Vibrations