Geometry & MOs

Info

ID:

38138

PubChem CID:

8027383

Reduced:

N2C13H21 (1)

Stoich.:

A2B13C21 (1)

Weight, g/mol:

192.162649

ΔHf, kcal/mol:

23.26

Dipole, Da:

3.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755194

Charge, e:

 2

Chem-info

IUPAC name:

benzyl-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations