Geometry & MOs

Info

ID:	59955
PubChem CID:	26512247
Reduced:	ClN3O3C23H30 (1)
Stoich.:	AB3C3D23E30 (1)
Weight, g/mol:	370.176681
ΔH_f, kcal/mol:	-79.23
Dipole, Da:	4.97
IP(EA), eV:	-8.34(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)methyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methylazanium

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)OC)OC)CC(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations