Geometry & MOs

Info

ID:	375098
PubChem CID:	131465931
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	-10.06
Dipole, Da:	3.21
IP(EA), eV:	-10.8(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-cyanopropan-2-yl)-3-methyl-1H-pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C(ON=C1C#N)C(C)(C)C

DOS

IR

Vibrations