Geometry & MOs

Info

ID:	145952
PubChem CID:	53618126
Reduced:	FN5C16H18 (1)
Stoich.:	AB5C16D18 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	52.95
Dipole, Da:	5.72
IP(EA), eV:	-9.19(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethoxy]benzonitrile

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=C(C=C(C=C2)F)C#N)CN3C=NC=N3

DOS

IR

Vibrations