Geometry & MOs

Info

ID:	262124
PubChem CID:	103271734
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	325.05899
ΔH_f, kcal/mol:	-59.06
Dipole, Da:	2.49
IP(EA), eV:	-8.46(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-fluoro-2-methylaniline

Drug info:

PubChemData

Smile

CCOCC(C(C)C)NC1CCC2=C1C=C(C=C2)C

DOS

IR

Vibrations