Geometry & MOs

Info

ID:	20848
PubChem CID:	586121
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	-7.07
Dipole, Da:	1.87
IP(EA), eV:	-7.98(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-ethylidene-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-triene

Drug info:

PubChemData

Smile

CC=C1C2CCN3C1C4(CC3)C(C2)NC5=C4C=CC=C5OC

DOS

IR

Vibrations