Geometry & MOs

Info

ID:	449624
PubChem CID:	135300130
Reduced:	NC11H15 (1)
Stoich.:	AB11C15 (1)
Weight, g/mol:	516.238608
ΔH_f, kcal/mol:	25.12
Dipole, Da:	2.49
IP(EA), eV:	-8.14(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C(/C)\C1=C(NC(=C1)C)C=C

DOS

IR

Vibrations