Geometry & MOs

Info

ID:	216722
PubChem CID:	85086671
Reduced:	BrON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	295.05718
ΔH_f, kcal/mol:	16.61
Dipole, Da:	5.38
IP(EA), eV:	-9.54(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

Drug info:

PubChemData

Smile

CCCCNC1=NC(=O)C2=CC(C=CC2=N1)Br

DOS

IR

Vibrations