Geometry & MOs

Info

ID:	136136
PubChem CID:	51986069
Reduced:	ON3C21H26 (1)
Stoich.:	AB3C21D26 (1)
Weight, g/mol:	337.215413
ΔH_f, kcal/mol:	37.65
Dipole, Da:	1.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770389
Charge, e:	2

Chem-info

IUPAC name:

3-(1H-imidazol-3-ium-3-yl)propyl-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=CC=CC(=C2)CNCCC[N+]3=CNC=C3

DOS

IR

Vibrations