Geometry & MOs

Info

ID:	277425
PubChem CID:	103828437
Reduced:	F2N2O4C11H14 (1)
Stoich.:	A2B2C4D11E14 (1)
Weight, g/mol:	299.144533
ΔH_f, kcal/mol:	-154.58
Dipole, Da:	7.86
IP(EA), eV:	-9.2(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(dimethylamino)cyclopentyl]methyl]-2,6-difluoro-4-nitroaniline

Drug info:

PubChemData

Smile

COCCOCCNC1=C(C=C(C=C1F)[N+](=O)[O-])F

DOS

IR

Vibrations