Geometry & MOs

Info

ID:	319161
PubChem CID:	126655231
Reduced:	F2O2N5H15C20 (1)
Stoich.:	A2B2C5D15E20 (1)
Weight, g/mol:	410.243024
ΔH_f, kcal/mol:	-69.89
Dipole, Da:	5.85
IP(EA), eV:	-8.52(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethylazepan-1-yl)-4-[4-(3-hydroxy-3-methylazetidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CN(C=N2)C3=CC(=NC4=C3C(=O)NC4)C5=C(C=CC=C5F)F

DOS

IR

Vibrations