Geometry & MOs

Info

ID:	145076
PubChem CID:	53456907
Reduced:	ON6C22H24 (1)
Stoich.:	AB6C22D24 (1)
Weight, g/mol:	320.141732
ΔH_f, kcal/mol:	71.93
Dipole, Da:	3.33
IP(EA), eV:	-6.6(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-(1-phenylethyl)azanium

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C3=C4CC(OC4=[NH+]C(=C3C(=[NH+]2)N)N)C5=CC=CC=C5)C#N

DOS

IR

Vibrations