Geometry & MOs

Info

ID:	205986
PubChem CID:	80186345
Reduced:	BrON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	264.158626
ΔH_f, kcal/mol:	-0.63
Dipole, Da:	1.28
IP(EA), eV:	-8.98(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methoxy-2-propyl-5-oxa-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-triene

Drug info:

PubChemData

Smile

CCN1C2COCC2CNC3=C1N=CC(=C3)Br

DOS

IR

Vibrations