Geometry & MOs

Info

ID:	287273
PubChem CID:	104234229
Reduced:	FNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	291.174691
ΔH_f, kcal/mol:	-167.94
Dipole, Da:	2.07
IP(EA), eV:	-8.9(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

CCC(C(=O)OCC)OC1=C(C=C(C=C1)C(C)N)F

DOS

IR

Vibrations