Geometry & MOs

Info

ID:	181540
PubChem CID:	76758959
Reduced:	N3O3C19H22 (2)
Stoich.:	A3B3C19D22 (2)
Weight, g/mol:	382.144119
ΔH_f, kcal/mol:	-191.66
Dipole, Da:	3.34
IP(EA), eV:	-8.63(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-aminooxan-4-yl)amino]-4-(1-benzofuran-3-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCOCC1C2=NC3=C(N2)C=C(C=C3)C4=CC5=C(C=C4)C=C(C=C5)C6=CN=C(N6)C7COCCN7C(=O)OC(C)(C)C

DOS

IR

Vibrations