Geometry & MOs

Info

ID:	146720
PubChem CID:	53735023
Reduced:	Cl2O4N5C31H33 (1)
Stoich.:	A2B4C5D31E33 (1)
Weight, g/mol:	234.209599
ΔH_f, kcal/mol:	-44.84
Dipole, Da:	4.87
IP(EA), eV:	-8.5(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N-methyl-N'-phenyl-N-propylpropane-1,3-diamine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=C(C=C3)OC[C@@H]4CO[C@@](O4)(CN5C=NC=N5)C6=C(C=C(C=C6)Cl)Cl

DOS

IR

Vibrations