Geometry & MOs

Info

ID:	341277
PubChem CID:	127263712
Reduced:	BKOF3C6H9 (1)
Stoich.:	ABCD3E6F9 (1)
Weight, g/mol:	229.006119
ΔH_f, kcal/mol:	-395.03
Dipole, Da:	7.42
IP(EA), eV:	-9.1(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(chloromethyl)phenyl]-1,3-oxazole;hydrochloride

Drug info:

PubChemData

Smile

[B-](C1CCCC(=O)C1)(F)(F)F.[K+]

DOS

IR

Vibrations