Geometry & MOs

Info

ID:	312052
PubChem CID:	126602162
Reduced:	O2N3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	374.138582
ΔH_f, kcal/mol:	43.51
Dipole, Da:	7.11
IP(EA), eV:	-8.6(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

imino-[2-[2-[2-[3-(4-sulfophenyl)propoxy]ethoxy]ethoxy]ethylimino]azanium

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC(=CC(=C2)C#N)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations