Geometry & MOs

Info

ID:	447847
PubChem CID:	135286332
Reduced:	ON7H21C23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	463.175673
ΔH_f, kcal/mol:	133.5
Dipole, Da:	5.28
IP(EA), eV:	-8.18(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)O)/C=C32

DOS

IR

Vibrations