Geometry & MOs

Info

ID:	129737
PubChem CID:	51073686
Reduced:	OSN4C14H24 (1)
Stoich.:	ABC4D14E24 (1)
Weight, g/mol:	344.167083
ΔH_f, kcal/mol:	-50.95
Dipole, Da:	5.02
IP(EA), eV:	-8.61(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC(C)C(=O)N(C(C)C)C(C)C)N

DOS

IR

Vibrations