Geometry & MOs

Info

ID:	297788
PubChem CID:	117630765
Reduced:	ClNO3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-116.34
Dipole, Da:	3.21
IP(EA), eV:	-9.08(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethylpyrrolidine-1-carbonyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC(=C(C=C1)O)NC2=C(C=C(C=C2)C(=O)OC)Cl

DOS

IR

Vibrations