Geometry & MOs

Info

ID:	238809
PubChem CID:	93165538
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-168.9
Dipole, Da:	8.98
IP(EA), eV:	-8.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(1S,2R)-2-(cyclopropylcarbamoyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1CC2=C(OC(=C2)C(=O)N[C@H](C)C(=O)O)C

DOS

IR

Vibrations