Geometry & MOs

Info

ID:	355307
PubChem CID:	127288264
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	290.185509
ΔH_f, kcal/mol:	-24.96
Dipole, Da:	2.82
IP(EA), eV:	-8.97(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)CC3=NN=C(O3)C(C)C)C

DOS

IR

Vibrations