Geometry & MOs

Info

ID:	308842
PubChem CID:	126522883
Reduced:	ON8C28H30 (1)
Stoich.:	AB8C28D30 (1)
Weight, g/mol:	492.173231
ΔH_f, kcal/mol:	122.75
Dipole, Da:	9.42
IP(EA), eV:	-8.33(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[5-[(3E)-3-(4-thiophen-3-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)N6CCN(CC6)C

DOS

IR

Vibrations