Geometry & MOs

Info

ID:	246992
PubChem CID:	103066131
Reduced:	NCl2O3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	235.076392
ΔH_f, kcal/mol:	-25.15
Dipole, Da:	4.28
IP(EA), eV:	-9.72(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(chloromethyl)prop-2-enoxy]-3,5-dimethylbenzonitrile

Drug info:

PubChemData

Smile

C=C(COC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CCl

DOS

IR

Vibrations