Geometry & MOs

Info

ID:	233415
PubChem CID:	90271443
Reduced:	ON7H23C28 (1)
Stoich.:	AB7C23D28 (1)
Weight, g/mol:	471.217144
ΔH_f, kcal/mol:	151.23
Dipole, Da:	8.98
IP(EA), eV:	-8.46(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/N=C5C=CC=C(C5=N4)C6=CN=CC=C6

DOS

IR

Vibrations