Geometry & MOs

Info

ID:

177046

PubChem CID:

76130276

Reduced:

NOC32H34 (2)

Stoich.:

ABC32D34 (2)

Weight, g/mol:

334.141638

ΔHf, kcal/mol:

113.6

Dipole, Da:

4.07

IP(EA), eV:

 -8.0(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(9-acetyloxy-1-oxo-4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[f]chromen-2-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC.CC.CC=CC(C)(C1=CC=CC=C1NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O.CC#CC(C)(C1=CC=CC=C1NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations