Geometry & MOs

Info

ID:	134457
PubChem CID:	51699712
Reduced:	ON3C12H22 (1)
Stoich.:	AB3C12D22 (1)
Weight, g/mol:	224.176287
ΔH_f, kcal/mol:	-24.77
Dipole, Da:	3.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779904
Charge, e:	1

Chem-info

IUPAC name:

1-[(2R)-oxolan-2-yl]-N-[(3-propyl-1H-imidazol-3-ium-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CCC[N+]1=C(NC=C1)CNC[C@@H]2CCCO2

DOS

IR

Vibrations