Geometry & MOs

Info

ID:	349267
PubChem CID:	127275054
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-3.79
Dipole, Da:	1.86
IP(EA), eV:	-9.11(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperidin-1-yl)-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCC(CC2)C3=NC(=NN3)C4=CC=CC=C4

DOS

IR

Vibrations