Geometry & MOs

Info

ID:

165593

PubChem CID:

74573746

Reduced:

N4C14H21 (1)

Stoich.:

A4B14C21 (1)

Weight, g/mol:

193.145322

ΔHf, kcal/mol:

68.43

Dipole, Da:

7.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.905757

Charge, e:

 1

Chem-info

IUPAC name:

2-methyl-N-(pyridin-2-ylmethyl)pyrazolidin-2-ium-3-amine

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)C(C)[NH2+]CC2=CC=NC=C2)C

DOS

IR

Vibrations