Geometry & MOs

Info

ID:	263270
PubChem CID:	103350986
Reduced:	BrN2O2F3C11H12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	357.952
ΔH_f, kcal/mol:	-151.89
Dipole, Da:	3.77
IP(EA), eV:	-9.9(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-nitrophenyl)methyl]-3-chloro-4-fluoroaniline

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1[N+](=O)[O-])Br)CNCCCC(F)(F)F

DOS

IR

Vibrations