Geometry & MOs

Info

ID:

183027

PubChem CID:

76970753

Reduced:

OC4H7 (8)

Stoich.:

AB4C7 (8)

Weight, g/mol:

642.281488

ΔHf, kcal/mol:

-411.21

Dipole, Da:

3.95

IP(EA), eV:

-9.55(0.64)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;tetrahydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](/C=C/C)C.CCOC(=O)[C@H](/C=C/C)C.CCOC(=O)[C@@H](/C=C\C)C.CCOC(=O)[C@H](/C=C\C)C

DOS

IR

Vibrations