Geometry & MOs

Info

ID:	343824
PubChem CID:	127267000
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	328.139622
ΔH_f, kcal/mol:	-57.09
Dipole, Da:	4.73
IP(EA), eV:	-7.93(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,1,3-benzoxadiazol-4-ylmethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

COC1(CC1)CNC2=CC=C(C=C2)NC(=O)N3CCCCCC3

DOS

IR

Vibrations