Geometry & MOs

Info

ID:	352791
PubChem CID:	127283880
Reduced:	ON5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-27.75
Dipole, Da:	6.34
IP(EA), eV:	-9.26(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCCC1)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations