Geometry & MOs

Info

ID:	183624
PubChem CID:	77045850
Reduced:	O2N5C14H21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	282.107653
ΔH_f, kcal/mol:	-49.64
Dipole, Da:	4.19
IP(EA), eV:	-10.0(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-nitro-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NC=NN1)C(=O)C2CC(=O)C3CCCCC3N2

DOS

IR

Vibrations