Geometry & MOs

Info

ID:	309041
PubChem CID:	126535273
Reduced:	ClOSN8H21C26 (1)
Stoich.:	ABCD8E21F26 (1)
Weight, g/mol:	418.051591
ΔH_f, kcal/mol:	189.32
Dipole, Da:	9.6
IP(EA), eV:	-8.53(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-7-(5-chlorothiophen-2-yl)-2-[5-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

C1CNCCC1OC2=CN=C(C=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C(=CC=NC6=N5)C7=CC=C(S7)Cl

DOS

IR

Vibrations