Geometry & MOs

Info

ID:	184158
PubChem CID:	77120493
Reduced:	ION4H9C12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	356.00217
ΔH_f, kcal/mol:	79.46
Dipole, Da:	3.25
IP(EA), eV:	-9.29(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxyphenyl)-5-iodo-6-propan-2-yl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1I)C2=CN3C=CC=CC3=N2

DOS

IR

Vibrations