Geometry & MOs

Info

ID:	283360
PubChem CID:	103977691
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	-107.59
Dipole, Da:	6.42
IP(EA), eV:	-9.51(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-cyanoethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN(C1=CC=CC=N1)C(=O)C2CCCC2C(=O)O

DOS

IR

Vibrations