Geometry & MOs

Info

ID:	352906
PubChem CID:	127283996
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	289.165108
ΔH_f, kcal/mol:	-34.9
Dipole, Da:	6.76
IP(EA), eV:	-9.38(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CCN(CC2)C(=O)CCC3=CC=CC=C3)N4C=NC=N4

DOS

IR

Vibrations