Geometry & MOs

Info

ID:	287275
PubChem CID:	104234231
Reduced:	FNOCl2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	278.154289
ΔH_f, kcal/mol:	-61.05
Dipole, Da:	0.94
IP(EA), eV:	-9.18(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCC2=C(C=CC(=C2)Cl)Cl)F)N

DOS

IR

Vibrations