Geometry & MOs

Info

ID:	355509
PubChem CID:	127288572
Reduced:	ON7C14H23 (1)
Stoich.:	AB7C14D23 (1)
Weight, g/mol:	331.212058
ΔH_f, kcal/mol:	55.61
Dipole, Da:	5.51
IP(EA), eV:	-9.08(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)CC3=NN=C(N3C)C

DOS

IR

Vibrations