Geometry & MOs

Info

ID:	352660
PubChem CID:	127283749
Reduced:	O2N4C21H36 (1)
Stoich.:	A2B4C21D36 (1)
Weight, g/mol:	373.157246
ΔH_f, kcal/mol:	-100.69
Dipole, Da:	3.67
IP(EA), eV:	-8.57(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)C(C)N2CCN(CC2)CC3=NC(=C(O3)C)C

DOS

IR

Vibrations