Geometry & MOs

Info

ID:	134455
PubChem CID:	51699244
Reduced:	OSN2C12H14 (2)
Stoich.:	ABC2D12E14 (2)
Weight, g/mol:	140.118772
ΔH_f, kcal/mol:	-36.11
Dipole, Da:	3.49
IP(EA), eV:	-8.55(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@H](CN2C=NC3=C(C2=O)SC4=C3NC(=O)CS4)N5CCCCC5

DOS

IR

Vibrations