Geometry & MOs

Info

ID:	202652
PubChem CID:	79705831
Reduced:	FON2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	291.185924
ΔH_f, kcal/mol:	-47.68
Dipole, Da:	4.09
IP(EA), eV:	-8.76(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-fluoropyridin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(C2=NC=C(C=C2)F)NC(C)C

DOS

IR

Vibrations