Geometry & MOs

Info

ID:	330400
PubChem CID:	127247387
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	-69.05
Dipole, Da:	4.07
IP(EA), eV:	-9.29(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imidazol-1-yl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2(CCOCC2)O)C3=CC=NN3

DOS

IR

Vibrations