Geometry & MOs

Info

ID:	178953
PubChem CID:	76407027
Reduced:	OSN2C18H24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	359.159354
ΔH_f, kcal/mol:	-9.46
Dipole, Da:	1.12
IP(EA), eV:	-8.67(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-aminoethyl)triazol-4-yl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CSC=C2)CN3CCC4CCCCC4C3

DOS

IR

Vibrations