Geometry & MOs

Info

ID:	211979
PubChem CID:	81059021
Reduced:	BrN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	293.103891
ΔH_f, kcal/mol:	-65.53
Dipole, Da:	7.01
IP(EA), eV:	-9.54(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br

DOS

IR

Vibrations