Geometry & MOs

Info

ID:	344271
PubChem CID:	127267447
Reduced:	O2N5C16H17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	331.13322
ΔH_f, kcal/mol:	8.14
Dipole, Da:	5.62
IP(EA), eV:	-9.29(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(4-fluoro-3,5-dimethylbenzoyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC(=O)NN2)C(=O)CNC3=CC=C(C=C3)C#N

DOS

IR

Vibrations