Geometry & MOs

Info

ID:	275363
PubChem CID:	103815497
Reduced:	BrClN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	195.137162
ΔH_f, kcal/mol:	6.39
Dipole, Da:	1.02
IP(EA), eV:	-8.93(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1CN(CC(N1)C)CC2=C(C=CC(=C2)Br)Cl

DOS

IR

Vibrations