Geometry & MOs

Info

ID:	83683
PubChem CID:	49860059
Reduced:	BrOSN4C18H19 (1)
Stoich.:	ABCD4E18F19 (1)
Weight, g/mol:	297.07283
ΔH_f, kcal/mol:	41.86
Dipole, Da:	4.52
IP(EA), eV:	-8.75(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-11-methyl-11-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene;hydrobromide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=NCC3=CC=CC=C3)N.Br

DOS

IR

Vibrations