Geometry & MOs

Info

ID:	207167
PubChem CID:	80354980
Reduced:	N2O5C13H22 (1)
Stoich.:	A2B5C13D22 (1)
Weight, g/mol:	303.150429
ΔH_f, kcal/mol:	-242.29
Dipole, Da:	7.46
IP(EA), eV:	-9.87(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)O)NC(=O)N1CCC(C1)C(=O)OC

DOS

IR

Vibrations