Geometry & MOs

Info

ID:	308846
PubChem CID:	126522894
Reduced:	NH2C3 (6)
Stoich.:	AB2C3 (6)
Weight, g/mol:	445.201494
ΔH_f, kcal/mol:	195.14
Dipole, Da:	5.73
IP(EA), eV:	-8.54(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propan-2-yl-5-[(3E)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

C1=CC2=C/C(=C\3/C4=C(C=CC(=C4)C5=NC=CN=C5)NN3)/N=C2N=C1

DOS

IR

Vibrations