Geometry & MOs

Info

ID:	349260
PubChem CID:	127275047
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	1.42
Dipole, Da:	2.11
IP(EA), eV:	-9.0(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCCC1)N2CCC(CC2)C3=NC(=NN3)C4=CC=CC=C4

DOS

IR

Vibrations