Geometry & MOs

Info

ID:	228540
PubChem CID:	87565251
Reduced:	O3N4C36H38 (1)
Stoich.:	A3B4C36D38 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-36.55
Dipole, Da:	7.09
IP(EA), eV:	-8.81(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-5-pentan-3-yl-2-[(E)-2-phenylethenyl]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C1CN([C@@H](C([C@H]1N2C3=CC=CC=C3NC2=O)CCCC4=CC=CC=C4)N(CC5=CC=CC=C5)CC6=CC=CC=C6)C(=O)O

DOS

IR

Vibrations