Geometry & MOs

Info

ID:

414965

PubChem CID:

135087945

Reduced:

O5N7C36H47 (1)

Stoich.:

A5B7C36D47 (1)

Weight, g/mol:

330.267114

ΔHf, kcal/mol:

-155.27

Dipole, Da:

4.28

IP(EA), eV:

 -9.38(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aS,6aR)-5-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)CN4C=CC(=N4)C

DOS

IR

Vibrations