Geometry & MOs

Info

ID:	447826
PubChem CID:	135286052
Reduced:	OSN7H23C27 (1)
Stoich.:	ABC7D23E27 (1)
Weight, g/mol:	412.212393
ΔH_f, kcal/mol:	155.46
Dipole, Da:	10.42
IP(EA), eV:	-8.51(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-(2,3-dimethylimidazol-4-yl)-3-(4-piperidin-1-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations