Geometry & MOs

Info

ID:	447922
PubChem CID:	135286844
Reduced:	OSN8H22C26 (1)
Stoich.:	ABC8D22E26 (1)
Weight, g/mol:	409.201494
ΔH_f, kcal/mol:	174.77
Dipole, Da:	10.19
IP(EA), eV:	-8.48(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-(4-methylpyridin-3-yl)-3-(4-piperidin-1-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC=CS6)N=C2

DOS

IR

Vibrations