Geometry & MOs

Info

ID:	433503
PubChem CID:	135173640
Reduced:	BrO3N4C24H35 (1)
Stoich.:	AB3C4D24E35 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-108.9
Dipole, Da:	3.74
IP(EA), eV:	-8.26(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)O[C@@H]2CCC[C@H](C2)N3C=C(C(=N3)C4=CCNC=C4)Br

DOS

IR

Vibrations