Geometry & MOs

Info

ID:	224616
PubChem CID:	85345347
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	287.071306
ΔH_f, kcal/mol:	-125.19
Dipole, Da:	3.86
IP(EA), eV:	-9.37(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylidene]cyclopentan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C12CCC(N1C(=O)CC2)CC3=CC=CC=C3

DOS

IR

Vibrations