Geometry & MOs

Info

ID:	448049
PubChem CID:	135287970
Reduced:	SN8H20C24 (1)
Stoich.:	AB8C20D24 (1)
Weight, g/mol:	397.176342
ΔH_f, kcal/mol:	238.77
Dipole, Da:	10.25
IP(EA), eV:	-8.46(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=CN=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CSC=C6

DOS

IR

Vibrations