Geometry & MOs

Info

ID:	313944
PubChem CID:	126619161
Reduced:	F2N2O4H24C25 (1)
Stoich.:	A2B2C4D24E25 (1)
Weight, g/mol:	517.198854
ΔH_f, kcal/mol:	-195.5
Dipole, Da:	4.86
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-fluoro-4-[[2-methyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1CN(CC2=C1N=C(C=C2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)OC(F)F)CCC(=O)O

DOS

IR

Vibrations