Geometry & MOs

Info

ID:

127974

PubChem CID:

51025331

Reduced:

OC5H8 (2)

Stoich.:

AB5C8 (2)

Weight, g/mol:

690.315246

ΔHf, kcal/mol:

-91.43

Dipole, Da:

2.92

IP(EA), eV:

 -10.0(0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (1S,9S,12E)-3,4,6-trimethoxy-11-[(4-methoxyphenyl)methyl]-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate

Drug info:

PubChemData

Smile

CC1([C@H]2C[C@@H]1C(=O)C[C@@H]2CO)C

DOS

IR

Vibrations