Geometry & MOs

Info

ID:	242450
PubChem CID:	96100152
Reduced:	ON3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	290.149124
ΔH_f, kcal/mol:	-22.06
Dipole, Da:	8.68
IP(EA), eV:	-8.93(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-pyrazol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)[C@@H](C)C(=O)N2CCO[C@@H](C2)C3=NNC(=N3)C

DOS

IR

Vibrations