Geometry & MOs

Info

ID:	297786
PubChem CID:	117630728
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	493.14134
ΔH_f, kcal/mol:	-15.92
Dipole, Da:	3.99
IP(EA), eV:	-8.57(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,4-difluorophenoxy)-5-[(2,6-difluorophenyl)methylamino]phenyl]-4-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC1CC2=C(C(=C(C=C2CN1CC3=CC(=CC=C3)N4C=NC5=CC=CC=C54)OC)OC)OC

DOS

IR

Vibrations