Geometry & MOs

Info

ID:	27729
PubChem CID:	823303
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	221.060055
ΔH_f, kcal/mol:	-35.56
Dipole, Da:	6.58
IP(EA), eV:	-8.66(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-fluorophenyl)methyl]-3-nitropyrazole

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]1COC2=CC=CC=C2O1)NCC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations