Geometry & MOs

Info

ID:	370602
PubChem CID:	127339744
Reduced:	O3N6C17H18 (1)
Stoich.:	A3B6C17D18 (1)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	-60.24
Dipole, Da:	5.32
IP(EA), eV:	-9.42(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CC4=C(NC(=O)NC4=O)N=C3

DOS

IR

Vibrations