Geometry & MOs

Info

ID:	313960
PubChem CID:	126619186
Reduced:	F2N2O3H24C25 (1)
Stoich.:	A2B2C3D24E25 (1)
Weight, g/mol:	375.158292
ΔH_f, kcal/mol:	-152.9
Dipole, Da:	2.49
IP(EA), eV:	-8.83(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-phenylmethoxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CN(CC2=C1N=C(C=C2)C3=CC=C(C=C3)OCC4=CC(=CC=C4)C(F)F)CCC(=O)O

DOS

IR

Vibrations