Geometry & MOs

Info

ID:	432870
PubChem CID:	135173007
Reduced:	ON6C19H21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	500.154307
ΔH_f, kcal/mol:	115.66
Dipole, Da:	3.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.668566
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=[N+](C=CN3C)C

DOS

IR

Vibrations