Geometry & MOs

Info

ID:	122503
PubChem CID:	50809642
Reduced:	FN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	328.11471
ΔH_f, kcal/mol:	-25.78
Dipole, Da:	2.54
IP(EA), eV:	-9.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2CCCN2C(=O)C3=CC(=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations