Geometry & MOs

Info

ID:	430937
PubChem CID:	135171007
Reduced:	ON4C21H34 (1)
Stoich.:	AB4C21D34 (1)
Weight, g/mol:	205.01023
ΔH_f, kcal/mol:	-11.81
Dipole, Da:	4.77
IP(EA), eV:	-7.95(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-3-propan-2-yl-2,3-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NC/C(=C/NC)/C=C)C(=O)C2=C/C(=C/C)/CN2

DOS

IR

Vibrations