Geometry & MOs

Info

ID:	443903
PubChem CID:	135260339
Reduced:	NNaO3C13H24 (2)
Stoich.:	ABC3D13E24 (2)
Weight, g/mol:	477.137179
ΔH_f, kcal/mol:	-263.48
Dipole, Da:	5.82
IP(EA), eV:	-4.55(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3E)-3-(4-thiophen-2-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)N(CCN(CC(=O)O)CC(=O)O)CCO.[Na].[Na]

DOS

IR

Vibrations