Geometry & MOs

Info

ID:

165135

PubChem CID:

74503777

Reduced:

N4C21H25 (1)

Stoich.:

A4B21C25 (1)

Weight, g/mol:

367.202168

ΔHf, kcal/mol:

105.54

Dipole, Da:

2.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.962366

Charge, e:

 1

Chem-info

IUPAC name:

(6-methyl-1,3-benzodioxol-5-yl)methyl-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]azanium

Drug info:

PubChemData

Smile

CC1(CC(C2=C(C1)N(N=C2)C3=CC=CC=C3)[NH2+]CC4=CC=CC=N4)C

DOS

IR

Vibrations