Geometry & MOs

Info

ID:	330306
PubChem CID:	127247293
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-48.49
Dipole, Da:	8.6
IP(EA), eV:	-9.12(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=CC4=C(CCCC4)NC3=O

DOS

IR

Vibrations