Geometry & MOs

Info

ID:	361586
PubChem CID:	127303852
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	306.169191
ΔH_f, kcal/mol:	-51.37
Dipole, Da:	5.06
IP(EA), eV:	-9.53(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(1,4-dioxan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NCC(=O)N2CCCC(C2)C3=NN=CN3C4CC4

DOS

IR

Vibrations