Geometry & MOs

Info

ID:	308877
PubChem CID:	126531725
Reduced:	ON6C21H22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	507.147744
ΔH_f, kcal/mol:	121.39
Dipole, Da:	10.94
IP(EA), eV:	-8.44(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(5-acetylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CN=CC(=C2)C3=C/C(=C\4/C=C5C=NC=CC5=N4)/NN3

DOS

IR

Vibrations