Geometry & MOs

Info

ID:	361604
PubChem CID:	127303870
Reduced:	SO2N5C19H29 (1)
Stoich.:	AB2C5D19E29 (1)
Weight, g/mol:	361.21139
ΔH_f, kcal/mol:	-45.52
Dipole, Da:	2.87
IP(EA), eV:	-9.28(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CSCC(=O)N2CCCC(C2)C3=NN=CN3C4CC4

DOS

IR

Vibrations