Geometry & MOs

Info

ID:	361864
PubChem CID:	127304858
Reduced:	N3O3C20H35 (1)
Stoich.:	A3B3C20D35 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-165.92
Dipole, Da:	4.85
IP(EA), eV:	-9.05(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCC(C1)C(=O)N2CCCCC2CN3CCOCC3

DOS

IR

Vibrations