Geometry & MOs

Info

ID:	361654
PubChem CID:	127303986
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	72.3
Dipole, Da:	5.92
IP(EA), eV:	-9.21(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)N2CCC(CC2)C3=NN=CN3C4CC4)C5CC5

DOS

IR

Vibrations