Geometry & MOs

Info

ID:	330373
PubChem CID:	127247360
Reduced:	SO2N5C15H23 (1)
Stoich.:	AB2C5D15E23 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	-35.66
Dipole, Da:	3.93
IP(EA), eV:	-9.14(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzotriazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)S(=O)(=O)N2CCCCC2C3=C(C=NN3)C)C

DOS

IR

Vibrations