Geometry & MOs

Info

ID:	85595
PubChem CID:	49877498
Reduced:	NOCl2C15H24 (1)
Stoich.:	ABC2D15E24 (1)
Weight, g/mol:	375.220316
ΔH_f, kcal/mol:	-30.57
Dipole, Da:	4.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750542
Charge, e:	-1

Chem-info

IUPAC name:

N',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine;chloride

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)OCCCCNC)Cl.[Cl-]

DOS

IR

Vibrations