Geometry & MOs

Info

ID:	445705
PubChem CID:	135269002
Reduced:	O2N5C25H25 (1)
Stoich.:	A2B5C25D25 (1)
Weight, g/mol:	517.117126
ΔH_f, kcal/mol:	37.17
Dipole, Da:	4.44
IP(EA), eV:	-8.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(3-chlorophenoxy)ethoxy]-6-[(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC=NC3=C2C=CC(=C3)N4CCOCC4)CC5=NC=CN=C5OC

DOS

IR

Vibrations