Geometry & MOs

Info

ID:	333829
PubChem CID:	127252381
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-67.92
Dipole, Da:	3.25
IP(EA), eV:	-9.37(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCOCC(C2)CC3=NC=CN=C3

DOS

IR

Vibrations