Geometry & MOs

Info

ID:	287231
PubChem CID:	104234127
Reduced:	FNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	250.122989
ΔH_f, kcal/mol:	-166.25
Dipole, Da:	4.01
IP(EA), eV:	-9.04(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC2CCOC3(C2)CCOC3)F)N

DOS

IR

Vibrations