Geometry & MOs

Info

ID:	277439
PubChem CID:	103828543
Reduced:	F2N2O3C12H16 (1)
Stoich.:	A2B2C3D12E16 (1)
Weight, g/mol:	280.065949
ΔH_f, kcal/mol:	-140.35
Dipole, Da:	7.14
IP(EA), eV:	-9.28(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-difluoro-4-nitroanilino)methyl]phenol

Drug info:

PubChemData

Smile

CC(C)CC(CNC1=C(C=C(C=C1F)[N+](=O)[O-])F)O

DOS

IR

Vibrations