Geometry & MOs

Info

ID:	401569
PubChem CID:	135051664
Reduced:	BrN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	217.071448
ΔH_f, kcal/mol:	-11.84
Dipole, Da:	5.62
IP(EA), eV:	-8.62(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]hydroxylamine

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(\C)/C1=C(C=CC(=C1)OCC2=CC=CC=C2)Br)/N=[N+]=[N-]

DOS

IR

Vibrations