Geometry & MOs

Info

ID:	296644
PubChem CID:	117587016
Reduced:	ON3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	231.064391
ΔH_f, kcal/mol:	43.58
Dipole, Da:	5.17
IP(EA), eV:	-9.5(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-pyrrol-2-ylcarbamoyl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN(C)C(=O)C2=CN=C(C=C2)C#N

DOS

IR

Vibrations