Geometry & MOs

Info

ID:	277449
PubChem CID:	103828603
Reduced:	F2N2O3C11H12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	300.139782
ΔH_f, kcal/mol:	-117.87
Dipole, Da:	9.1
IP(EA), eV:	-9.16(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,6-difluoro-4-nitroaniline

Drug info:

PubChemData

Smile

C1CC(C1)(CNC2=C(C=C(C=C2F)[N+](=O)[O-])F)O

DOS

IR

Vibrations