Geometry & MOs

Info

ID:	295070
PubChem CID:	117514760
Reduced:	BrNO5H10C13 (1)
Stoich.:	ABC5D10E13 (1)
Weight, g/mol:	339.03825
ΔH_f, kcal/mol:	-104.91
Dipole, Da:	8.25
IP(EA), eV:	-9.03(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

COC1=C2C(=C(C(=C1)C3=CC(=NO3)C(=O)O)Br)CCO2

DOS

IR

Vibrations