Geometry & MOs

Info

ID:	59956
PubChem CID:	26512250
Reduced:	N3O4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	383.179324
ΔH_f, kcal/mol:	-26.97
Dipole, Da:	6.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.996883
Charge, e:	1

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)methyl-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-methylazanium

Drug info:

PubChemData

Smile

C[NH+](CC1=CC(=C(C=C1)OC)OC)CC2=NC(=NO2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations