Geometry & MOs

Info

ID:	355302
PubChem CID:	127288259
Reduced:	ON7C13H21 (1)
Stoich.:	AB7C13D21 (1)
Weight, g/mol:	319.212058
ΔH_f, kcal/mol:	56.24
Dipole, Da:	7.58
IP(EA), eV:	-9.19(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-2-[[4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)CC3=NN=NN3C)C

DOS

IR

Vibrations