Geometry & MOs

Info

ID:	342263
PubChem CID:	127265040
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	345.162332
ΔH_f, kcal/mol:	-87.93
Dipole, Da:	5.06
IP(EA), eV:	-8.3(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-3-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

COC(=O)NCC1=CC=C(C=C1)NC(=O)NCC2CCN(C2)C3=CC=CC=C3

DOS

IR

Vibrations