Geometry & MOs

Info

ID:

88648

PubChem CID:

49955905

Reduced:

Cl2N2C14H15 (1)

Stoich.:

A2B2C14D15 (1)

Weight, g/mol:

284.178117

ΔHf, kcal/mol:

69.47

Dipole, Da:

1.34

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750022

Charge, e:

 -1

Chem-info

IUPAC name:

3-propan-2-yloxy-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine;chloride

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CNCCC2=CC=C(C=C2)Cl.[Cl-]

DOS

IR

Vibrations