Geometry & MOs

Info

ID:	361587
PubChem CID:	127303853
Reduced:	O3N4C15H22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	375.18413
ΔH_f, kcal/mol:	-64.67
Dipole, Da:	5.38
IP(EA), eV:	-9.64(0.19)
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]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2COCCO2)C3=NN=CN3C4CC4

DOS

IR

Vibrations