Geometry & MOs

Info

ID:	30572
PubChem CID:	841523
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-32.81
Dipole, Da:	3.48
IP(EA), eV:	-9.64(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)NC(=O)C2CCC2

DOS

IR

Vibrations