Geometry & MOs

Info

ID:	309729
PubChem CID:	126556545
Reduced:	OSN6C19H22 (1)
Stoich.:	ABC6D19E22 (1)
Weight, g/mol:	437.140036
ΔH_f, kcal/mol:	68.87
Dipole, Da:	5.31
IP(EA), eV:	-8.24(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-7-(3-fluoro-5-methoxyphenyl)-2-(5-pyridin-4-yl-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC2=C(/C(=N\NC(=S)N3CCN(CC3)C4=CC=CC=N4)/CCO2)N=C1

DOS

IR

Vibrations