Geometry & MOs

Info

ID:	290435
PubChem CID:	104510324
Reduced:	NOSC12H17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	294.98196
ΔH_f, kcal/mol:	-7.59
Dipole, Da:	0.59
IP(EA), eV:	-9.0(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1CC1C2C(CCO2)(CC3=CC=CS3)N

DOS

IR

Vibrations