Geometry & MOs

Info

ID:	446891
PubChem CID:	135278484
Reduced:	OSN6H26C28 (1)
Stoich.:	ABC6D26E28 (1)
Weight, g/mol:	520.204531
ΔH_f, kcal/mol:	134.33
Dipole, Da:	3.86
IP(EA), eV:	-8.46(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-[[5-[(3Z)-3-(4-thiophen-2-ylindol-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]amino]methanol

Drug info:

PubChemData

Smile

CC(C)CC(NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CC=CS6)N=C2)O

DOS

IR

Vibrations