Geometry & MOs

Info

ID:	260351
PubChem CID:	103189070
Reduced:	BrN2O2C12H19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	330.0743
ΔH_f, kcal/mol:	-53.23
Dipole, Da:	2.64
IP(EA), eV:	-8.72(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-fluorobenzamide

Drug info:

PubChemData

Smile

CCN(C(C)CN(C)C)C(=O)C1=CC=C(O1)Br

DOS

IR

Vibrations