Geometry & MOs

Info

ID:	369614
PubChem CID:	127334894
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	336.136845
ΔH_f, kcal/mol:	-30.92
Dipole, Da:	2.43
IP(EA), eV:	-8.79(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCC2=CC=CC=C21)C(=O)N3CCN(CC3)CC4=NOC(=N4)C(C)(C)C

DOS

IR

Vibrations