Geometry & MOs

Info

ID:	387795
PubChem CID:	134986958
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	-133.98
Dipole, Da:	3.2
IP(EA), eV:	-8.69(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C(C(=C(C(=C2O1)C)OC)C)OC

DOS

IR

Vibrations