Geometry & MOs

Info

ID:	403958
PubChem CID:	135063338
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	278.116761
ΔH_f, kcal/mol:	-120.5
Dipole, Da:	2.58
IP(EA), eV:	-8.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-(4-ethylphenyl)-3-oxo-2H-pyrrolo[2,3-b]pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

CCCCC(=O)C1=C(C=C(C(=C1)C)C)NC(=O)C(C)(C)C

DOS

IR

Vibrations