Geometry & MOs

Info

ID:	333814
PubChem CID:	127252366
Reduced:	ON4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-6.92
Dipole, Da:	7.27
IP(EA), eV:	-8.81(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[3-methyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1(CCCN(C1)CCOC)C2=NN=CN2C

DOS

IR

Vibrations