Geometry & MOs

Info

ID:	447951
PubChem CID:	135287085
Reduced:	N9H25C27 (1)
Stoich.:	A9B25C27 (1)
Weight, g/mol:	411.090229
ΔH_f, kcal/mol:	216.33
Dipole, Da:	8.94
IP(EA), eV:	-8.84(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CN=CC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CN=CC(=C6)CN7CCCC7)/C=C23

DOS

IR

Vibrations