Geometry & MOs

Info

ID:	355448
PubChem CID:	127288511
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	324.161997
ΔH_f, kcal/mol:	-72.34
Dipole, Da:	3.67
IP(EA), eV:	-9.71(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-2-ylmethylsulfanyl)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCCC(C1)N2C=NC=N2)NC(=O)C3CCCC3

DOS

IR

Vibrations