Geometry & MOs

Info

ID:

85598

PubChem CID:

49877522

Reduced:

NOCl2C17H22 (1)

Stoich.:

ABC2D17E22 (1)

Weight, g/mol:

373.204666

ΔHf, kcal/mol:

33.52

Dipole, Da:

3.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750262

Charge, e:

 -1

Chem-info

IUPAC name:

1-benzyl-4-[4-(2-methylphenoxy)butyl]piperazine;chloride

Drug info:

PubChemData

Smile

CC1CCCCC1NCC#CCOC2=CC=C(C=C2)Cl.[Cl-]

DOS

IR

Vibrations