Geometry & MOs

Info

ID:	383935
PubChem CID:	134975994
Reduced:	LiNC12H26 (1)
Stoich.:	ABC12D26 (1)
Weight, g/mol:	225.24565
ΔH_f, kcal/mol:	-20.85
Dipole, Da:	4.33
IP(EA), eV:	-7.21(3.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-butyl-2-hexyl-4-methylpyrrolidine

Drug info:

PubChemData

Smile

[Li+].CC(C)(C)C[CH-]C(C)(C)CN(C)C

DOS

IR

Vibrations