Geometry & MOs

Info

ID:	2067
PubChem CID:	5715
Reduced:	NO4C21H30 (1)
Stoich.:	AB4C21D30 (1)
Weight, g/mol:	360.217483
ΔH_f, kcal/mol:	-91.09
Dipole, Da:	4.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.876080
Charge, e:	1

Chem-info

IUPAC name:

bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium

Drug info:

PubChemData

Smile

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CCC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations