Geometry & MOs

Info

ID:	375099
PubChem CID:	131465932
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	-54.6
Dipole, Da:	7.69
IP(EA), eV:	-9.51(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations