Geometry & MOs

Info

ID:	53035
PubChem CID:	14709436
Reduced:	NO3C17H31 (1)
Stoich.:	AB3C17D31 (1)
Weight, g/mol:	309.266779
ΔH_f, kcal/mol:	-191.34
Dipole, Da:	2.1
IP(EA), eV:	-9.6(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-propan-2-ylcyclohexyl) 2-butylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N2CCCCC2OC)C(C)C

DOS

IR

Vibrations