Geometry & MOs

Info

ID:	367732
PubChem CID:	127325692
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	56.61
Dipole, Da:	5.7
IP(EA), eV:	-8.68(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CN1CCCC(C1)CN(C)C(=O)C2=CC(=CC=C2)N3C=NN=N3

DOS

IR

Vibrations