Geometry & MOs

Info

ID:	348011
PubChem CID:	127273073
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	344.23246
ΔH_f, kcal/mol:	-71.8
Dipole, Da:	5.65
IP(EA), eV:	-8.98(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-5-[[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CN2CCN(CC2)C(=O)CCC3CCCC3

DOS

IR

Vibrations