Geometry & MOs

Info

ID:	38394
PubChem CID:	8034663
Reduced:	OSN3H17C19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	305.141379
ΔH_f, kcal/mol:	19.87
Dipole, Da:	6.39
IP(EA), eV:	-8.55(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-fluorophenyl)-6-propan-2-yl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)C)C

DOS

IR

Vibrations