Geometry & MOs

Info

ID:	431400
PubChem CID:	135171475
Reduced:	O4N5C19H21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	195.019939
ΔH_f, kcal/mol:	-111.93
Dipole, Da:	6.62
IP(EA), eV:	-8.86(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(NC(=O)NC2=O)N=C1N3CCC(CC3)OC4=CN=C(C=C4)OC

DOS

IR

Vibrations