Geometry & MOs

Info

ID:	306308
PubChem CID:	125003692
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-31.61
Dipole, Da:	4.15
IP(EA), eV:	-8.56(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC2=C1C(=NC=C2)CC3CN(C3)C(=O)CN4CCCC4=O

DOS

IR

Vibrations