Geometry & MOs

Info

ID:	445719
PubChem CID:	135269085
Reduced:	F3N5O6C18H18 (1)
Stoich.:	A3B5C6D18E18 (1)
Weight, g/mol:	535.148569
ΔH_f, kcal/mol:	-285.19
Dipole, Da:	3.14
IP(EA), eV:	-9.31(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propyl-7-[3-(trifluoromethoxy)phenoxy]-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C2=C(N=C1OCCOC3=CC(=CC=C3)OC(F)(F)F)N(C(=O)N(C2=O)CCN=O)C

DOS

IR

Vibrations