Geometry & MOs

Info

ID:	141052
PubChem CID:	52810099
Reduced:	N2C9H15 (2)
Stoich.:	A2B9C15 (2)
Weight, g/mol:	346.0117
ΔH_f, kcal/mol:	14.35
Dipole, Da:	3.01
IP(EA), eV:	-8.43(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromophenoxy)methyl]-1-(3-fluorophenyl)pyrazole

Drug info:

PubChemData

Smile

CCCN1CCC[C@@H](C1)CN2CCN(CC2)C3=CC=CC=N3

DOS

IR

Vibrations