Geometry & MOs

Info

ID:	176647
PubChem CID:	76079391
Reduced:	BrN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	316.097855
ΔH_f, kcal/mol:	-30.43
Dipole, Da:	2.64
IP(EA), eV:	-9.62(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7-chloro-11-methyl-3-oxa-9-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)-2-azabicyclo[2.1.1]hexan-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NCC(=O)C2=CC=C(C=C2)Br)N

DOS

IR

Vibrations