Geometry & MOs

Info

ID:	361612
PubChem CID:	127303878
Reduced:	SO2N4C18H30 (1)
Stoich.:	AB2C4D18E30 (1)
Weight, g/mol:	265.19026
ΔH_f, kcal/mol:	-76.89
Dipole, Da:	9.51
IP(EA), eV:	-8.34(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)CSCC3CCCCO3

DOS

IR

Vibrations