Geometry & MOs

Info

ID:	198935
PubChem CID:	79174579
Reduced:	ClFNO3H9C13 (1)
Stoich.:	ABCD3E9F13 (1)
Weight, g/mol:	265.061804
ΔH_f, kcal/mol:	-50.72
Dipole, Da:	3.2
IP(EA), eV:	-9.24(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2-nitrophenyl)methyl]-3,5-dimethylpyrazole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC2=C(C=CC(=C2)Cl)[N+](=O)[O-])F

DOS

IR

Vibrations