Geometry & MOs

Info

ID:	30569
PubChem CID:	841518
Reduced:	ON2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	9.7
Dipole, Da:	3.76
IP(EA), eV:	-9.42(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(=O)NC2=NOC(=C2)C

DOS

IR

Vibrations