Geometry & MOs

Info

ID:	391906
PubChem CID:	135010880
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	0.81
Dipole, Da:	1.33
IP(EA), eV:	-8.47(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,14,15,16-tetramethoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),5,12,14-pentaen-3-yn-8-yl)ethanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C#C1)C3=C(C(=C(C=C3CCCN2)OC)OC)OC

DOS

IR

Vibrations