Geometry & MOs

Info

ID:	223393
PubChem CID:	85334961
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	309.12774
ΔH_f, kcal/mol:	90.72
Dipole, Da:	10.87
IP(EA), eV:	-9.42(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-2-en-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(C2CCC3(CCC(=O)C=C3C2(C=C(C1=O)C#N)C)C#N)C

DOS

IR

Vibrations