Geometry & MOs

Info

ID:	447530
PubChem CID:	135283644
Reduced:	ClION3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	7.69
Dipole, Da:	2.15
IP(EA), eV:	-9.55(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-3-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C2=NC(=NC=C12)Cl)C3CCCC3)I

DOS

IR

Vibrations