Geometry & MOs

Info

ID:	432992
PubChem CID:	135173129
Reduced:	O2C9H12 (1)
Stoich.:	A2B9C12 (1)
Weight, g/mol:	481.177484
ΔH_f, kcal/mol:	-40.17
Dipole, Da:	1.4
IP(EA), eV:	-8.16(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[(3Z)-4-fluoro-3-(7-pyridin-3-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

C/C=C\C1=C(OCCO1)C=C

DOS

IR

Vibrations