Geometry & MOs

Info

ID:	447529
PubChem CID:	135283620
Reduced:	F2N2O3C22H22 (1)
Stoich.:	A2B2C3D22E22 (1)
Weight, g/mol:	388.97919
ΔH_f, kcal/mol:	-160.86
Dipole, Da:	4.09
IP(EA), eV:	-9.42(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-8-cyclopentyl-6-iodo-5-methylpyrido[2,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=CC(=C(C=C3)C(=O)N4CCOCC4)F

DOS

IR

Vibrations