Geometry & MOs

Info

ID:	145656
PubChem CID:	53565454
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	301.215413
ΔH_f, kcal/mol:	56.07
Dipole, Da:	8.94
IP(EA), eV:	-9.28(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dicyclopropyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CO2)CN3CCN4C(=NN=C4C3)C

DOS

IR

Vibrations