Geometry & MOs

Info

ID:	134459
PubChem CID:	51699714
Reduced:	ON3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	210.160637
ΔH_f, kcal/mol:	20.86
Dipole, Da:	2.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779993
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[N+]1=C(NC=C1)CNCC2=CC=CO2

DOS

IR

Vibrations