Geometry & MOs

Info

ID:	287228
PubChem CID:	104234112
Reduced:	FNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	263.14339
ΔH_f, kcal/mol:	-165.82
Dipole, Da:	3.77
IP(EA), eV:	-9.47(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)OC(=O)COC1=C(C=C(C=C1)C(C)N)F

DOS

IR

Vibrations