Geometry & MOs

Info

ID:	349265
PubChem CID:	127275052
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-2.52
Dipole, Da:	3.02
IP(EA), eV:	-8.96(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=O)CN2CCC(CC2)C3=NC(=NN3)C4=CC=CC=C4)C

DOS

IR

Vibrations