Geometry & MOs

Info

ID:	294871
PubChem CID:	117501651
Reduced:	BrNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	315.04701
ΔH_f, kcal/mol:	-74.57
Dipole, Da:	4.63
IP(EA), eV:	-8.5(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)CC2(CC2)N)OC)Br)OC

DOS

IR

Vibrations