Geometry & MOs

Info

ID:	308798
PubChem CID:	126522723
Reduced:	FON6H21C25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	445.201494
ΔH_f, kcal/mol:	101.82
Dipole, Da:	7.33
IP(EA), eV:	-8.65(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CCNCC6)/C=C23)F

DOS

IR

Vibrations