Geometry & MOs

Info

ID:	431429
PubChem CID:	135171504
Reduced:	ClO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	253.061804
ΔH_f, kcal/mol:	-13.71
Dipole, Da:	4.02
IP(EA), eV:	-9.51(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(NC(=NC2=O)COCC3=CC=CC=C3)N=C1Cl

DOS

IR

Vibrations