Geometry & MOs

Info

ID:	363452
PubChem CID:	127311255
Reduced:	ON3C8H13 (2)
Stoich.:	AB3C8D13 (2)
Weight, g/mol:	223.14331
ΔH_f, kcal/mol:	-60.94
Dipole, Da:	6.31
IP(EA), eV:	-9.36(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=NN=C1CCNC(=O)C2CCCN(C2)C(=O)N3CCCC3

DOS

IR

Vibrations