Geometry & MOs

Info

ID:	447768
PubChem CID:	135285503
Reduced:	FSO3N7H30C32 (1)
Stoich.:	ABC3D7E30F32 (1)
Weight, g/mol:	470.221895
ΔH_f, kcal/mol:	7.06
Dipole, Da:	2.83
IP(EA), eV:	-8.39(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(4-pyridin-3-ylindol-2-ylidene)-5-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydroindazole

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CC(=CC(=C6)F)C(N)S(=O)(=O)C

DOS

IR

Vibrations