Geometry & MOs

Info

ID:	343753
PubChem CID:	127266929
Reduced:	FO3N4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	313.226646
ΔH_f, kcal/mol:	-152.38
Dipole, Da:	9.35
IP(EA), eV:	-9.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]ethyl]pyridine

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC(=O)NC(=O)N2)CCC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations