Geometry & MOs

Info

ID:	361532
PubChem CID:	127303722
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	332.14193
ΔH_f, kcal/mol:	-12.26
Dipole, Da:	5.48
IP(EA), eV:	-9.05(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=CC(=C2)CN3CCOCC3)N4C=NC=N4

DOS

IR

Vibrations