Geometry & MOs

Info

ID:	319216
PubChem CID:	126655344
Reduced:	ON3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	430.191738
ΔH_f, kcal/mol:	34.86
Dipole, Da:	4.11
IP(EA), eV:	-8.42(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(3-ethylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1CN(CC1=O)C2=NN(C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations