Geometry & MOs

Info

ID:	294872
PubChem CID:	117501696
Reduced:	BrNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	315.04701
ΔH_f, kcal/mol:	-99.18
Dipole, Da:	3.77
IP(EA), eV:	-9.0(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(3-bromo-5-ethyl-2,4-dimethoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1C(=O)CNC)Br)OC

DOS

IR

Vibrations