Geometry & MOs

Info

ID:	252512
PubChem CID:	103111857
Reduced:	FN3O3C10H16 (1)
Stoich.:	AB3C3D10E16 (1)
Weight, g/mol:	345.01129
ΔH_f, kcal/mol:	-133.52
Dipole, Da:	4.77
IP(EA), eV:	-9.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[(2-methyl-3-nitrophenyl)methylamino]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(N=NN1CCCF)C(=O)OCCOC

DOS

IR

Vibrations