Geometry & MOs

Info

ID:	277438
PubChem CID:	103828531
Reduced:	F2O2N3C12H17 (1)
Stoich.:	A2B2C3D12E17 (1)
Weight, g/mol:	274.112899
ΔH_f, kcal/mol:	-82.14
Dipole, Da:	9.75
IP(EA), eV:	-9.0(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-difluoro-4-nitroanilino)-4-methylpentan-2-ol

Drug info:

PubChemData

Smile

CN(C)CCCCNC1=C(C=C(C=C1F)[N+](=O)[O-])F

DOS

IR

Vibrations