Geometry & MOs

Info

ID:	352769
PubChem CID:	127283858
Reduced:	ON7C16H25 (1)
Stoich.:	AB7C16D25 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	24.31
Dipole, Da:	3.31
IP(EA), eV:	-8.54(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C(C)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations