Geometry & MOs

Info

ID:	304600
PubChem CID:	124756452
Reduced:	ON4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	319.146681
ΔH_f, kcal/mol:	28.0
Dipole, Da:	6.81
IP(EA), eV:	-8.68(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C=CN=C1[C@H]2CCCN(C2)CC3=CC(=NO3)C4CCCCC4

DOS

IR

Vibrations