Geometry & MOs

Info

ID:	420552
PubChem CID:	135113831
Reduced:	N3C10H12 (2)
Stoich.:	A3B10C12 (2)
Weight, g/mol:	376.193297
ΔH_f, kcal/mol:	73.17
Dipole, Da:	3.41
IP(EA), eV:	-8.03(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(butylsulfanylmethyl)-5-methylfuran-2-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C3CCCC3=C2)N4CCC(CC4)C5=NC(=NN5)N

DOS

IR

Vibrations