Geometry & MOs

Info

ID:	277432
PubChem CID:	103828477
Reduced:	FNO2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	298.087747
ΔH_f, kcal/mol:	-155.69
Dipole, Da:	9.26
IP(EA), eV:	-9.04(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluoro-4-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine

Drug info:

PubChemData

Smile

COC(=O)C1CCN(C1)C2=C(C=C(C=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations