Geometry & MOs

Info

ID:	294998
PubChem CID:	117511299
Reduced:	BrNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	329.06266
ΔH_f, kcal/mol:	-109.81
Dipole, Da:	3.85
IP(EA), eV:	-8.74(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)morpholine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)O)CC2CCCNC2)Br)OC

DOS

IR

Vibrations