Geometry & MOs

Info

ID:	406980
PubChem CID:	135079071
Reduced:	NOH5C8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	264.196354
ΔH_f, kcal/mol:	32.91
Dipole, Da:	6.61
IP(EA), eV:	-9.68(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,5-dimethoxyphenyl)-octylideneazanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC3=C(C=C2)N(C(=O)C3=O)C#N

DOS

IR

Vibrations