Geometry & MOs

Info

ID:	295001
PubChem CID:	117511328
Reduced:	BrNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	329.06266
ΔH_f, kcal/mol:	-108.71
Dipole, Da:	5.56
IP(EA), eV:	-8.83(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

CC(C)(CC1=C2C(=CC(=C1OC)Br)OCCCO2)N

DOS

IR

Vibrations