Geometry & MOs

Info

ID:	148022
PubChem CID:	53787684
Reduced:	OF2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	166.074228
ΔH_f, kcal/mol:	-2.22
Dipole, Da:	2.07
IP(EA), eV:	-8.93(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-acetyl-2,5-dimethyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=CC#C)CC3

DOS

IR

Vibrations