Geometry & MOs

Info

ID:	355306
PubChem CID:	127288263
Reduced:	ON6C17H28 (1)
Stoich.:	AB6C17D28 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	9.95
Dipole, Da:	2.97
IP(EA), eV:	-8.92(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations