Geometry & MOs

Info

ID:	313963
PubChem CID:	126619195
Reduced:	Cl2N3O3H19C22 (1)
Stoich.:	A2B3C3D19E22 (1)
Weight, g/mol:	549.188684
ΔH_f, kcal/mol:	-48.86
Dipole, Da:	5.34
IP(EA), eV:	-8.91(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations