Geometry & MOs

Info

ID:	313894
PubChem CID:	126618704
Reduced:	F2N3O4H23C24 (1)
Stoich.:	A2B3C4D23E24 (1)
Weight, g/mol:	487.171891
ΔH_f, kcal/mol:	-184.97
Dipole, Da:	2.99
IP(EA), eV:	-8.93(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=CN=C(N=C21)C3=CC=C(C=C3)OCC4=CC=C(C=C4)OC(F)F)CCC(=O)O

DOS

IR

Vibrations