Geometry & MOs

Info

ID:	448131
PubChem CID:	135288685
Reduced:	ON10C22H24 (1)
Stoich.:	AB10C22D24 (1)
Weight, g/mol:	464.170922
ΔH_f, kcal/mol:	167.18
Dipole, Da:	10.56
IP(EA), eV:	-8.02(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(furan-3-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CN(N=C6CO)C)NN4)/N=C32

DOS

IR

Vibrations