Geometry & MOs

Info

ID:	444697
PubChem CID:	135263278
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-10.9
Dipole, Da:	2.88
IP(EA), eV:	-8.95(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-3-(4-methylphenyl)-1,4,2-dioxazole

Drug info:

PubChemData

Smile

CC1(OC(=NO1)C2=CC=C(C=C2)C=C)C

DOS

IR

Vibrations