Geometry & MOs

Info

ID:	435481
PubChem CID:	135191586
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	332.09094
ΔH_f, kcal/mol:	-93.97
Dipole, Da:	8.13
IP(EA), eV:	-8.85(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-4-oxo-2-(pyridin-3-ylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)furan-3-carbaldehyde

Drug info:

PubChemData

Smile

C=C(C1=C(O/C(=C\C2=CNC3=C2C=CC=N3)/C1=O)NC4CCCCC4)OCCCO

DOS

IR

Vibrations