Geometry & MOs

Info

ID:	355508
PubChem CID:	127288571
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	305.196408
ΔH_f, kcal/mol:	-32.22
Dipole, Da:	2.57
IP(EA), eV:	-8.9(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[4-[(4,5-dimethyl-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)CC3CCOC3

DOS

IR

Vibrations