Geometry & MOs

Info

ID:	136135
PubChem CID:	51986068
Reduced:	ON3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	336.207587
ΔH_f, kcal/mol:	63.39
Dipole, Da:	6.18
IP(EA), eV:	-7.08(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1H-imidazol-3-ium-3-yl)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C[NH2+]CCC[N+]3=CNC=C3

DOS

IR

Vibrations