Geometry & MOs

Info

ID:	360293
PubChem CID:	127300936
Reduced:	FON6C20H23 (1)
Stoich.:	ABC6D20E23 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	6.83
Dipole, Da:	3.31
IP(EA), eV:	-8.86(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-5-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=NN(C(=N3)C)C4=CC=C(C=C4)F

DOS

IR

Vibrations