Geometry & MOs

Info

ID:

449680

PubChem CID:

135300610

Reduced:

N4O46C109H212 (1)

Stoich.:

A4B46C109D212 (1)

Weight, g/mol:

167.1674

ΔHf, kcal/mol:

-2045.88

Dipole, Da:

2.83

IP(EA), eV:

 -9.77(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-ethyl-2,4,7-trimethyl-1-azabicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCONC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations