Geometry & MOs

Info

ID:	369620
PubChem CID:	127334900
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	375.172896
ΔH_f, kcal/mol:	-92.19
Dipole, Da:	6.43
IP(EA), eV:	-9.0(-0.24)
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]-(2-cyclopropyl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)C(=O)C3CC4CCCC(C3)C4=O

DOS

IR

Vibrations