Geometry & MOs

Info

ID:	369611
PubChem CID:	127334891
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-64.77
Dipole, Da:	6.07
IP(EA), eV:	-8.71(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)C(=O)CC3CCOC4=CC=CC=C34

DOS

IR

Vibrations