Geometry & MOs

Info

ID:	313902
PubChem CID:	126618814
Reduced:	Cl2N2O3H22C24 (1)
Stoich.:	A2B2C3D22E24 (1)
Weight, g/mol:	457.161326
ΔH_f, kcal/mol:	-63.96
Dipole, Da:	5.09
IP(EA), eV:	-8.7(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)N1CC2=C(C1)N=C(C=C2)C3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations