Geometry & MOs

Info

ID:	270811
PubChem CID:	103638224
Reduced:	BrN2O2F4C12H13 (1)
Stoich.:	AB2C2D4E12F13 (1)
Weight, g/mol:	285.130026
ΔH_f, kcal/mol:	-269.88
Dipole, Da:	3.3
IP(EA), eV:	-9.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(propylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)F)NC(=O)CN(CCO)CC(F)(F)F

DOS

IR

Vibrations