Geometry & MOs

Info

ID:	73755
PubChem CID:	48420319
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	389.115775
ΔH_f, kcal/mol:	-58.42
Dipole, Da:	7.29
IP(EA), eV:	-8.9(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NC2=CC=CC=C2)C(=O)OCCN3C=NC=N3

DOS

IR

Vibrations