Geometry & MOs

Info

ID:	154428
PubChem CID:	56313863
Reduced:	ClO2F3N4C20H20 (1)
Stoich.:	AB2C3D4E20F20 (1)
Weight, g/mol:	400.183458
ΔH_f, kcal/mol:	-175.51
Dipole, Da:	6.41
IP(EA), eV:	-9.54(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCC(CC2)C3=NC4=C(O3)C=CC(=C4)Cl)C(F)(F)F

DOS

IR

Vibrations