Geometry & MOs

Info

ID:	313887
PubChem CID:	126618684
Reduced:	FN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	451.166269
ΔH_f, kcal/mol:	-80.55
Dipole, Da:	3.47
IP(EA), eV:	-8.87(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations