Geometry & MOs

Info

ID:	305477
PubChem CID:	124956032
Reduced:	ClN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	349.201494
ΔH_f, kcal/mol:	-98.6
Dipole, Da:	3.24
IP(EA), eV:	-9.45(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]-N-pyridin-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)CN2CCCC2=O)C3=NC=C(O3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations