Geometry & MOs

Info

ID:	329777
PubChem CID:	127246644
Reduced:	SN4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	46.55
Dipole, Da:	4.7
IP(EA), eV:	-8.97(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)CC3=C(N=CS3)C)C

DOS

IR

Vibrations