Geometry & MOs

Info

ID:	203309
PubChem CID:	79812093
Reduced:	BrNO2C7H14 (1)
Stoich.:	ABC2D7E14 (1)
Weight, g/mol:	263.093327
ΔH_f, kcal/mol:	-86.09
Dipole, Da:	2.88
IP(EA), eV:	-9.58(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-methyl-N-(4,4,4-trifluorobutyl)benzamide

Drug info:

PubChemData

Smile

CC(CO)(CO)NCC(=C)Br

DOS

IR

Vibrations