Geometry & MOs

Info

ID:	352471
PubChem CID:	127283559
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-33.9
Dipole, Da:	4.1
IP(EA), eV:	-9.49(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1-[3-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CC2)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations