Geometry & MOs

Info

ID:	262251
PubChem CID:	103279820
Reduced:	BrNO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	254.124212
ΔH_f, kcal/mol:	-77.94
Dipole, Da:	6.29
IP(EA), eV:	-9.54(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)/C=C/C(=O)NCC2CCC(C2)O)Br

DOS

IR

Vibrations