Geometry & MOs

Info

ID:	308988
PubChem CID:	126533600
Reduced:	N3O7C18H29 (1)
Stoich.:	A3B7C18D29 (1)
Weight, g/mol:	434.165523
ΔH_f, kcal/mol:	-303.95
Dipole, Da:	3.46
IP(EA), eV:	-10.13(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[4-(3-ethyl-5-fluorophenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-5-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(CC/C(=C/[N+]#N)/[O-])NC(=O)OC(C)(C)OC(=O)C(C)(C)C

DOS

IR

Vibrations