Geometry & MOs

Info

ID:	446125
PubChem CID:	135272532
Reduced:	FON2H5C8 (3)
Stoich.:	ABC2D5E8 (3)
Weight, g/mol:	424.128388
ΔH_f, kcal/mol:	-86.03
Dipole, Da:	4.97
IP(EA), eV:	-9.26(-2.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-hydroxynaphthalen-1-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

C=CC(=O)N1CC(C1)C2=NC(=C3C(=N2)N=C(N(C3=O)C4=CC(=CC5=CC=CC=C54)O)C(F)(F)F)C#N

DOS

IR

Vibrations