Geometry & MOs

Info

ID:	277451
PubChem CID:	103828616
Reduced:	FNO2C6H8 (2)
Stoich.:	ABC2D6E8 (2)
Weight, g/mol:	297.092498
ΔH_f, kcal/mol:	-174.2
Dipole, Da:	10.14
IP(EA), eV:	-9.11(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,6-difluoro-4-nitroaniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations