Geometry & MOs

Info

ID:

170357

PubChem CID:

75220530

Reduced:

PN4O10C41H51 (1)

Stoich.:

AB4C10D41E51 (1)

Weight, g/mol:

264.136159

ΔHf, kcal/mol:

-385.91

Dipole, Da:

8.9

IP(EA), eV:

 -8.77(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-hydroxy-7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one

Drug info:

PubChemData

Smile

CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2OP(=O)(O)O)C4C5C(C6CC7C5(O3)C(C6=O)(OC7(C)C)CC=C(C)C(=O)OC)N8C(=N4)N=CN8)CC=C(C)C)C)C

DOS

IR

Vibrations