Geometry & MOs

Info

ID:	349263
PubChem CID:	127275050
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	3.87
Dipole, Da:	2.45
IP(EA), eV:	-8.95(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylmorpholin-4-yl)-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)CN2CCC(CC2)C3=NC(=NN3)C4=CC=CC=C4

DOS

IR

Vibrations