Geometry & MOs

Info

ID:	151320
PubChem CID:	53801062
Reduced:	O3C8H13 (2)
Stoich.:	A3B8C13 (2)
Weight, g/mol:	457.97952
ΔH_f, kcal/mol:	-301.96
Dipole, Da:	4.63
IP(EA), eV:	-10.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chlorophenyl)-7-(4-iodophenyl)pyrido[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC(=O)CC(C)C)(C(C)C(=O)O)C(=O)C

DOS

IR

Vibrations