Geometry & MOs

Info

ID:	422324
PubChem CID:	135117641
Reduced:	SN2O3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	300.169859
ΔH_f, kcal/mol:	-106.44
Dipole, Da:	5.72
IP(EA), eV:	-9.03(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

piperidin-1-yl-[2-[2-(triazol-1-yl)ethylamino]pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCC[C@@]3([C@@H]2CCOC3)C4=CCOCC4

DOS

IR

Vibrations