Geometry & MOs

Info

ID:	366649
PubChem CID:	127320178
Reduced:	O3N6C14H22 (1)
Stoich.:	A3B6C14D22 (1)
Weight, g/mol:	360.136845
ΔH_f, kcal/mol:	-55.04
Dipole, Da:	2.42
IP(EA), eV:	-8.93(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCN(CC2)CC(=O)NC(=O)NC3CC3

DOS

IR

Vibrations