Geometry & MOs

Info

ID:

218622

PubChem CID:

85089707

Reduced:

N7C30H31 (1)

Stoich.:

A7B30C31 (1)

Weight, g/mol:

486.225368

ΔHf, kcal/mol:

183.82

Dipole, Da:

8.46

IP(EA), eV:

 -8.7(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 8-[2-(2,2-dimethylpropanoyloxy)ethyl]-5-hydroxy-11-phenyl-3,10,12-trioxatetracyclo[6.5.1.19,13.04,14]pentadec-6-ene-1-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5NNNN5)C=CN=C2C6=CC=CC=C6

DOS

IR

Vibrations