Geometry & MOs

Info

ID:	287290
PubChem CID:	104234271
Reduced:	FNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	278.154289
ΔH_f, kcal/mol:	-58.8
Dipole, Da:	3.82
IP(EA), eV:	-8.66(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-fluorophenyl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCCC2CC2)F)NC

DOS

IR

Vibrations