Geometry & MOs

Info

ID:	355466
PubChem CID:	127288529
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	335.152829
ΔH_f, kcal/mol:	-71.54
Dipole, Da:	4.52
IP(EA), eV:	-9.36(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(C1)C(=O)N2CCCC(C2)N3C=C(C=N3)C

DOS

IR

Vibrations