Geometry & MOs

Info

ID:

38132

PubChem CID:

8027347

Reduced:

N2C12H19 (1)

Stoich.:

A2B12C19 (1)

Weight, g/mol:

206.141913

ΔHf, kcal/mol:

39.63

Dipole, Da:

1.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754243

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC[C@H]2CCC[NH2+]2

DOS

IR

Vibrations