Geometry & MOs

Info

ID:	138578
PubChem CID:	52387720
Reduced:	ON3C16H28 (1)
Stoich.:	AB3C16D28 (1)
Weight, g/mol:	322.225643
ΔH_f, kcal/mol:	0.65
Dipole, Da:	3.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.930101
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(cyclohexanecarbonyl)-N-(4-hydroxycyclohexyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C[NH+](C)CCC[C@H]2CCCO2)CC=C

DOS

IR

Vibrations