Geometry & MOs

Info

ID:

160087

PubChem CID:

57304684

Reduced:

N4C13H19 (1)

Stoich.:

A4B13C19 (1)

Weight, g/mol:

244.07693

ΔHf, kcal/mol:

60.46

Dipole, Da:

3.02

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.864040

Charge, e:

 0

Chem-info

IUPAC name:

(4-hydroxy-1-phenylbutyl) methanesulfonate

Drug info:

PubChemData

Smile

C[N+]1=CN(C=C1)CCCNC2=CC=C(C=C2)N

DOS

IR

Vibrations