Geometry & MOs

Info

ID:	349264
PubChem CID:	127275051
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-36.41
Dipole, Da:	2.72
IP(EA), eV:	-9.11(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)CN2CCC(CC2)C3=NC(=NN3)C4=CC=CC=C4

DOS

IR

Vibrations