Geometry & MOs

Info

ID:	370723
PubChem CID:	127340001
Reduced:	ON5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	380.257612
ΔH_f, kcal/mol:	53.47
Dipole, Da:	4.17
IP(EA), eV:	-9.7(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NC=CC(=N2)C(=O)N3CCC(CC3)C4=CC=NN4

DOS

IR

Vibrations