Geometry & MOs

Info

ID:	193558
PubChem CID:	78406424
Reduced:	ION3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	237.030504
ΔH_f, kcal/mol:	35.93
Dipole, Da:	5.64
IP(EA), eV:	-9.82(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-chloro-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=NC(=O)C2I)N

DOS

IR

Vibrations