Geometry & MOs

Info

ID:	352778
PubChem CID:	127283867
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-22.66
Dipole, Da:	2.81
IP(EA), eV:	-9.45(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations