Geometry & MOs

Info

ID:

83775

PubChem CID:

49861264

Reduced:

ClO16C18H33 (1)

Stoich.:

AB16C18D33 (1)

Weight, g/mol:

396.160456

ΔHf, kcal/mol:

-755.42

Dipole, Da:

4.2

IP(EA), eV:

 -10.47(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-cyclohexyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O.Cl

DOS

IR

Vibrations