Geometry & MOs

Info

ID:	287277
PubChem CID:	104234233
Reduced:	BrFON3C15H19 (1)
Stoich.:	ABCD3E15F19 (1)
Weight, g/mol:	311.120068
ΔH_f, kcal/mol:	-37.32
Dipole, Da:	2.72
IP(EA), eV:	-9.0(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-chloro-5-ethyl-2-methylpyrazol-3-yl)methoxy]-3-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)Br)COC2=C(C=C(C=C2)C(C)N)F

DOS

IR

Vibrations