Geometry & MOs

Info

ID:	38131
PubChem CID:	8027307
Reduced:	NOC4H6 (3)
Stoich.:	ABC4D6 (3)
Weight, g/mol:	191.154824
ΔH_f, kcal/mol:	-73.76
Dipole, Da:	5.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754170
Charge, e:	1

Chem-info

IUPAC name:

4-methyl-N-[[(2R)-pyrrolidin-1-ium-2-yl]methyl]aniline

Drug info:

PubChemData

Smile

C1=COC(=C1)[C@@]2(C(=O)NC(=O)N2)CCCCC[NH3+]

DOS

IR

Vibrations