Geometry & MOs

Info

ID:	218272
PubChem CID:	85089112
Reduced:	IN2C21H37 (1)
Stoich.:	AB2C21D37 (1)
Weight, g/mol:	444.178418
ΔH_f, kcal/mol:	34.42
Dipole, Da:	46.62
IP(EA), eV:	-4.85(-3.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(19-hydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl) acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCC[N+]1=CC=CC(=C1)C2CCCN2C.[I-]

DOS

IR

Vibrations