Geometry & MOs

Info

ID:	313898
PubChem CID:	126618728
Reduced:	N2F3O3H25C26 (1)
Stoich.:	A2B3C3D25E26 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-218.93
Dipole, Da:	2.89
IP(EA), eV:	-9.09(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(4-phenylmethoxyphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC3=C(CN(CC3)CCC(=O)O)C=C2)OCC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations