Geometry & MOs

Info

ID:	357583
PubChem CID:	127294256
Reduced:	OSN6C19H28 (1)
Stoich.:	ABC6D19E28 (1)
Weight, g/mol:	366.220181
ΔH_f, kcal/mol:	29.86
Dipole, Da:	6.23
IP(EA), eV:	-8.62(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)C3=CSC(=N3)C4=CN(N=C4)C

DOS

IR

Vibrations