Geometry & MOs

Info

ID:	447017
PubChem CID:	135279570
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	566.2554
ΔH_f, kcal/mol:	5.0
Dipole, Da:	3.44
IP(EA), eV:	-9.34(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)N(N=C1)CC2=CC=CC=C2

DOS

IR

Vibrations