Geometry & MOs

Info

ID:	45549
PubChem CID:	10514787
Reduced:	NOC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	249.092042
ΔH_f, kcal/mol:	-61.22
Dipole, Da:	3.25
IP(EA), eV:	-9.04(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(2-cyclopentylethyl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

CCCCCCCCN1C[C@@H]2CC(=O)C(=C2C1)C

DOS

IR

Vibrations