Geometry & MOs

Info

ID:	287314
PubChem CID:	104234366
Reduced:	FON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	292.169939
ΔH_f, kcal/mol:	-37.45
Dipole, Da:	5.64
IP(EA), eV:	-9.14(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-methylethanamine

Drug info:

PubChemData

Smile

CCN1C=CN=C1COC2=C(C=C(C=C2)C(C)NC)F

DOS

IR

Vibrations