Geometry & MOs

Info

ID:	383051
PubChem CID:	134974550
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	410.96354
ΔH_f, kcal/mol:	-160.92
Dipole, Da:	4.24
IP(EA), eV:	-9.16(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-chloroethyl)-3-(4-iodophenyl)pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H](N1)C2=CC=C(C=C2)OCOCCOC

DOS

IR

Vibrations