Geometry & MOs

Info

ID:	277441
PubChem CID:	103828555
Reduced:	F2O2N3C14H19 (1)
Stoich.:	A2B2C3D14E19 (1)
Weight, g/mol:	286.112899
ΔH_f, kcal/mol:	-88.38
Dipole, Da:	7.6
IP(EA), eV:	-8.95(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,6-difluoro-4-nitroanilino)methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CN1CCC(CC1)CCNC2=C(C=C(C=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations