Geometry & MOs

Info

ID:

147118

PubChem CID:

53786771

Reduced:

NOH14C15 (1)

Stoich.:

ABC14D15 (1)

Weight, g/mol:

420.214803

ΔHf, kcal/mol:

49.61

Dipole, Da:

4.07

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.483101

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-12-methoxy-6-(methoxymethyl)-2-methyl-13-propan-2-yl-10,14,17-trioxahexacyclo[9.6.0.01,16.02,7.09,11.013,15]heptadec-5-ene-5-carboxylate

Drug info:

PubChemData

Smile

CCO[N+]1=CC2=CC=CC=C2C3=CC=CC=C31

DOS

IR

Vibrations