Geometry & MOs

Info

ID:	355305
PubChem CID:	127288262
Reduced:	ON6C17H26 (1)
Stoich.:	AB6C17D26 (1)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	42.06
Dipole, Da:	3.02
IP(EA), eV:	-8.94(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)CC3=NN=C(N3C)C4CC4)C

DOS

IR

Vibrations