Geometry & MOs

Info

ID:	352468
PubChem CID:	127283556
Reduced:	OSN8C12H18 (1)
Stoich.:	ABC8D12E18 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	72.68
Dipole, Da:	8.98
IP(EA), eV:	-8.77(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCC(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations