Geometry & MOs

Info

ID:	200387
PubChem CID:	79381335
Reduced:	BrFNO2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	215.188529
ΔH_f, kcal/mol:	-131.09
Dipole, Da:	3.77
IP(EA), eV:	-9.5(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2,2-dimethylbutanamide

Drug info:

PubChemData

Smile

CCN(CC(C)(C)O)C(=O)C1=C(C=CC(=C1)F)Br

DOS

IR

Vibrations