Geometry & MOs

Info

ID:	370581
PubChem CID:	127339719
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	13.91
Dipole, Da:	4.41
IP(EA), eV:	-9.07(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NN(C=C1C(=O)N2CCC(CC2)C3=CN(N=C3)C)C

DOS

IR

Vibrations