Geometry & MOs

Info

ID:	349269
PubChem CID:	127275056
Reduced:	ON6C22H32 (1)
Stoich.:	AB6C22D32 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	12.47
Dipole, Da:	2.05
IP(EA), eV:	-8.52(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperidin-1-yl)-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)C(C)N2CCC(CC2)C3=NC(=NN3)C4=CC=CC=C4

DOS

IR

Vibrations