Geometry & MOs

Info

ID:	85600
PubChem CID:	49877535
Reduced:	NCl2O2C15H24 (1)
Stoich.:	AB2C2D15E24 (1)
Weight, g/mol:	349.168281
ΔH_f, kcal/mol:	-82.47
Dipole, Da:	4.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784920
Charge, e:	-1

Chem-info

IUPAC name:

N',N'-dimethyl-N-[2-(4-phenylmethoxyphenoxy)ethyl]ethane-1,2-diamine;chloride

Drug info:

PubChemData

Smile

CC(CNCCOC1=C(C=C(C=C1)Cl)C(C)(C)C)O.[Cl-]

DOS

IR

Vibrations