Geometry & MOs

Info

ID:	330291
PubChem CID:	127247278
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	317.12949
ΔH_f, kcal/mol:	-29.09
Dipole, Da:	3.05
IP(EA), eV:	-9.73(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CCC(=O)N2CCCCC2C3=CC=NN3

DOS

IR

Vibrations