Geometry & MOs

Info

ID:	306131
PubChem CID:	125001702
Reduced:	SN2O2C6H7 (2)
Stoich.:	AB2C2D6E7 (2)
Weight, g/mol:	315.115381
ΔH_f, kcal/mol:	-87.57
Dipole, Da:	5.16
IP(EA), eV:	-9.88(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(1H-pyrazol-5-yl)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)[C@H]2COCCN2C(=O)C3=CN=CS3

DOS

IR

Vibrations