Geometry & MOs

Info

ID:	224546
PubChem CID:	85344649
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-42.99
Dipole, Da:	1.95
IP(EA), eV:	-9.1(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,3-dimethyl-1,2-oxazol-5-ylidene)methyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C1CN2C(C1O)CC(O2)C3=CC=CC=C3

DOS

IR

Vibrations