Geometry & MOs

Info

ID:

382453

PubChem CID:

134973614

Reduced:

OC6H6 (3)

Stoich.:

AB6C6 (3)

Weight, g/mol:

548.256274

ΔHf, kcal/mol:

-92.79

Dipole, Da:

1.06

IP(EA), eV:

-9.19(-0.06)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,3aS,4R,9bR)-4-[[(2S,3S,3aS,4R,9bR)-2-cyclohexa-1,3-dien-1-yl-3-methyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromen-4-yl]oxy]-3-methyl-2-phenyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene

Drug info:

PubChemData

Smile

CC1[C@H]2[C@H](C3=CC=CC=C3OC2O)O[C@@H]1C4=CC=CC=C4

DOS

IR

Vibrations