Geometry & MOs

Info

ID:

127920

PubChem CID:

51022998

Reduced:

O16C43H68 (1)

Stoich.:

A16B43C68 (1)

Weight, g/mol:

301.204179

ΔHf, kcal/mol:

-767.31

Dipole, Da:

1.37

IP(EA), eV:

 -9.27(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@]2(C(C3C(O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1

DOS

IR

Vibrations