Geometry & MOs

Info

ID:	440201
PubChem CID:	135230111
Reduced:	NOC9H21 (1)
Stoich.:	ABC9D21 (1)
Weight, g/mol:	291.125929
ΔH_f, kcal/mol:	-78.08
Dipole, Da:	2.94
IP(EA), eV:	-9.11(2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,8E,10E)-5-methylidene-15-prop-2-ynoxy-3-azatricyclo[10.4.0.03,7]hexadeca-1(12),8,10,13,15-pentaen-2-one

Drug info:

PubChemData

Smile

CCCOC(C)C(C)(C)CN

DOS

IR

Vibrations