Geometry & MOs

Info

ID:	308775
PubChem CID:	126522471
Reduced:	FON6H21C28 (1)
Stoich.:	ABC6D21E28 (1)
Weight, g/mol:	506.188881
ΔH_f, kcal/mol:	100.77
Dipole, Da:	6.44
IP(EA), eV:	-8.64(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CC(=CC=C6)F

DOS

IR

Vibrations