Geometry & MOs

Info

ID:	277448
PubChem CID:	103828601
Reduced:	F2O2N4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	258.081599
ΔH_f, kcal/mol:	-42.11
Dipole, Da:	4.07
IP(EA), eV:	-9.35(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=C(C=C(C=C2F)[N+](=O)[O-])F)CC#N

DOS

IR

Vibrations