Geometry & MOs

Info

ID:

46326

PubChem CID:

10523891

Reduced:

N3O4C21H23 (1)

Stoich.:

A3B4C21D23 (1)

Weight, g/mol:

381.194008

ΔHf, kcal/mol:

57.67

Dipole, Da:

6.25

IP(EA), eV:

 -8.42(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,9R)-11-[(2,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-12-one

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1N[C@]34[C@]25[C@@H]6[C@@H]7N8[C@H]5C(CC3)([C@H](CC8)O)[C@H]([C@]4(C6=O)N)O7

DOS

IR

Vibrations