Geometry & MOs

Info

ID:	431427
PubChem CID:	135171502
Reduced:	OF2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	239.046154
ΔH_f, kcal/mol:	-128.72
Dipole, Da:	3.68
IP(EA), eV:	-8.71(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-(methoxymethyl)-6-methyl-1H-pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)CC2=C(C(=C(C=C2)OC)C(C)C)F)F

DOS

IR

Vibrations