Geometry & MOs

Info

ID:	313930
PubChem CID:	126619011
Reduced:	ClN3O3C26H26 (1)
Stoich.:	AB3C3D26E26 (1)
Weight, g/mol:	439.170748
ΔH_f, kcal/mol:	-34.78
Dipole, Da:	2.78
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=CN=C(N=C21)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)CC5(CC5)CC(=O)O

DOS

IR

Vibrations