Geometry & MOs

Info

ID:	313895
PubChem CID:	126618705
Reduced:	F3N3O4H24C25 (1)
Stoich.:	A3B3C4D24E25 (1)
Weight, g/mol:	457.095997
ΔH_f, kcal/mol:	-251.87
Dipole, Da:	2.97
IP(EA), eV:	-8.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(F)(F)F)COC2=CC=C(C=C2)C3=NC=C4CN(CCC4=N3)CCC(=O)O

DOS

IR

Vibrations