Geometry & MOs

Info

ID:	163495
PubChem CID:	58005264
Reduced:	PSN3O8C29H34 (1)
Stoich.:	ABC3D8E29F34 (1)
Weight, g/mol:	126.103122
ΔH_f, kcal/mol:	-289.58
Dipole, Da:	7.16
IP(EA), eV:	-8.37(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-methyl-1-(3-methylimidazol-3-ium-1-yl)methanamine

Drug info:

PubChemData

Smile

CC1=CC2=C(NC3=C(C=CC(=C23)C4=CC(=CC=C4)S(=O)(=O)C5CC5)OC[C@@H]6CN(CCO6)CCOCP(=O)(O)O)N=C1

DOS

IR

Vibrations