Geometry & MOs

Info

ID:	313886
PubChem CID:	126618681
Reduced:	Cl2N3F4O5H25C27 (1)
Stoich.:	A2B3C4D5E25F27 (1)
Weight, g/mol:	393.14887
ΔH_f, kcal/mol:	-351.03
Dipole, Da:	9.09
IP(EA), eV:	-8.98(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CN1CCC2=NC(=NC=C2C1)C3=C(C=C(C=C3)OCC4=CC(=C(C=C4)Cl)Cl)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations