Geometry & MOs

Info

ID:	366657
PubChem CID:	127320186
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-49.84
Dipole, Da:	4.96
IP(EA), eV:	-8.68(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCN(CC2)CC(=O)NC3CCCCCC3

DOS

IR

Vibrations