Geometry & MOs

Info

ID:	248360
PubChem CID:	103080969
Reduced:	BrNF2O3C14H18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	294.058276
ΔH_f, kcal/mol:	-195.47
Dipole, Da:	5.1
IP(EA), eV:	-9.0(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-5-nitrophenyl)methyl]-2-(2,2-difluoroethoxy)ethanamine

Drug info:

PubChemData

Smile

C1COC2=C(C(=CC(=C2)CNCCOCC(F)F)Br)OC1

DOS

IR

Vibrations