Geometry & MOs

Info

ID:	350334
PubChem CID:	127277412
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	274.154209
ΔH_f, kcal/mol:	18.69
Dipole, Da:	3.58
IP(EA), eV:	-8.52(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CCN(CC2)C3=NC=CN=C3)C4=NC=CN4

DOS

IR

Vibrations