Geometry & MOs

Info

ID:	242459
PubChem CID:	96100248
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	304.164774
ΔH_f, kcal/mol:	-24.29
Dipole, Da:	2.93
IP(EA), eV:	-9.02(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@@H]2CN(CCO2)C(=O)C3=CSC4=C3CCCC4

DOS

IR

Vibrations