Geometry & MOs

Info

ID:	306057
PubChem CID:	125001488
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	284.127326
ΔH_f, kcal/mol:	-2.09
Dipole, Da:	4.27
IP(EA), eV:	-8.73(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-acetylpyrrolidin-2-yl]-6-pyridin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CN=C(N1)[C@@H]2CCCN2C(=O)C3=CC4=C(S3)CCC4

DOS

IR

Vibrations