Geometry & MOs

Info

ID:

420338

PubChem CID:

135112587

Reduced:

N6O7C32H50 (1)

Stoich.:

A6B7C32D50 (1)

Weight, g/mol:

276.231397

ΔHf, kcal/mol:

-320.05

Dipole, Da:

6.26

IP(EA), eV:

 -9.41(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N1)C)C)CC(C)C)C(=O)COC)CC2=CC=CC=C2)C(C)C

DOS

IR

Vibrations