Geometry & MOs

Info

ID:	272383
PubChem CID:	103740667
Reduced:	F2N2O3C14H16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	299.108148
ΔH_f, kcal/mol:	-136.86
Dipole, Da:	5.69
IP(EA), eV:	-10.06(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-difluoro-3-nitrophenyl)-(2,4-dimethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCC1)CNC(=O)C2=C(C=CC(=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations