Geometry & MOs

Info

ID:

133802

PubChem CID:

51590940

Reduced:

O2N4C18H23 (1)

Stoich.:

A2B4C18D23 (1)

Weight, g/mol:

326.174276

ΔHf, kcal/mol:

11.85

Dipole, Da:

4.81

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.895982

Charge, e:

 0

Chem-info

IUPAC name:

4-[(1R,9S)-12-(furan-3-ylmethyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine

Drug info:

PubChemData

Smile

C1C[C@@H]2C3=CN=C(N=C3C[C@H]1[NH+]2CC4=COC=C4)N5CCOCC5

DOS

IR

Vibrations