Geometry & MOs

Info

ID:	449671
PubChem CID:	135300471
Reduced:	NO2F3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	523.213201
ΔH_f, kcal/mol:	-215.34
Dipole, Da:	4.72
IP(EA), eV:	-8.86(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-[(2Z)-2-[5-[5-[(1-hydroxy-3-methylbutyl)amino]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[2,3-c]pyridin-4-yl]phenol

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=C1)OC)NC(=O)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations