Geometry & MOs

Info

ID:	275235
PubChem CID:	103814736
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	223.14331
ΔH_f, kcal/mol:	-43.68
Dipole, Da:	5.0
IP(EA), eV:	-8.81(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NCC1=CN(C=C1)C)N

DOS

IR

Vibrations