Geometry & MOs

Info

ID:	279320
PubChem CID:	103843049
Reduced:	BrF2N4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	341.98155
ΔH_f, kcal/mol:	8.24
Dipole, Da:	2.62
IP(EA), eV:	-8.96(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,5-difluoro-N-[(3-nitrophenyl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=NN2C=C(C=NC2=C1)CNC3=CC(=C(C=C3F)Br)F

DOS

IR

Vibrations