Geometry & MOs

Info

ID:	21322
PubChem CID:	587932
Reduced:	NO2C12H18 (2)
Stoich.:	AB2C12D18 (2)
Weight, g/mol:	416.267508
ΔH_f, kcal/mol:	-130.34
Dipole, Da:	5.23
IP(EA), eV:	-7.8(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-ethyl-4,5,6-trimethoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-12-yl)ethanol

Drug info:

PubChemData

Smile

CCN1C2CCC3(CCCN4C3C2(CC4)C5=CC(=C(C(=C51)OC)OC)OC)CCO

DOS

IR

Vibrations