Geometry & MOs

Info

ID:	279158
PubChem CID:	103841760
Reduced:	BrClNO2H11C13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	342.99747
ΔH_f, kcal/mol:	-26.71
Dipole, Da:	3.61
IP(EA), eV:	-9.76(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-bromo-4-chlorophenyl)methanone

Drug info:

PubChemData

Smile

CN(CC1=COC=C1)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations