Geometry & MOs

Info

ID:	271533
PubChem CID:	103682633
Reduced:	FSN2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	235.11209
ΔH_f, kcal/mol:	-5.74
Dipole, Da:	1.72
IP(EA), eV:	-9.22(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CCC(C1=NC=CS1)NCC2=C(C=CC(=C2)C)F

DOS

IR

Vibrations