Geometry & MOs

Info

ID:	372571
PubChem CID:	131299932
Reduced:	SN2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	178.074228
ΔH_f, kcal/mol:	-43.48
Dipole, Da:	8.81
IP(EA), eV:	-9.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyanoethyl)-5-methyl-1H-pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(CC#N)N

DOS

IR

Vibrations