Geometry & MOs

Info

ID:

388998

PubChem CID:

134990854

Reduced:

NO14C55H101 (1)

Stoich.:

AB14C55D101 (1)

Weight, g/mol:

259.14331

ΔHf, kcal/mol:

-781.46

Dipole, Da:

2.58

IP(EA), eV:

 -8.88(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(cyclohexen-1-yl)-2,6-diimino-3,5-dimethyl-4-oxo-1,3-diazinane-1-carbonitrile

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC1C(CC(OC1O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]2(C)O)C)C)O)(C)O)CC)C)OC3CC(C(C(O3)C)O)(C)OC)C)C)N(C)C

DOS

IR

Vibrations