Geometry & MOs

Info

ID:	313925
PubChem CID:	126619005
Reduced:	FN2O3C25H25 (1)
Stoich.:	AB2C3D25E25 (1)
Weight, g/mol:	487.171891
ΔH_f, kcal/mol:	-99.74
Dipole, Da:	6.56
IP(EA), eV:	-8.86(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN1CCC2=C(C1)C=CC(=N2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)F)C(=O)O

DOS

IR

Vibrations