Geometry & MOs

Info

ID:	133835
PubChem CID:	51598147
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	334.144119
ΔH_f, kcal/mol:	-70.22
Dipole, Da:	7.74
IP(EA), eV:	-9.05(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-2-yl]-5-fluoro-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)[C@@H]2CCCN2C(=O)CC3=CC=C(C=C3)OC)CC4=CC=CC=C4

DOS

IR

Vibrations