Geometry & MOs

Info

ID:	448515
PubChem CID:	135291458
Reduced:	NO2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	420.124274
ΔH_f, kcal/mol:	-79.12
Dipole, Da:	5.48
IP(EA), eV:	-8.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[14-(3-hydroxypropyl)-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-6-yl]propyl methanesulfonate

Drug info:

PubChemData

Smile

COC1=C(C2=C(CN(C2O)CC3=CC(=CC=C3)CN4CC5=CC=CC=C5C4=O)C=C1)OC

DOS

IR

Vibrations