Geometry & MOs

Info

ID:	268816
PubChem CID:	103601076
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	196.065493
ΔH_f, kcal/mol:	-51.58
Dipole, Da:	6.89
IP(EA), eV:	-9.02(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-chloroprop-2-enoxy]-2,3-dimethylbenzene

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)OCC(=O)N(C)CCC#N

DOS

IR

Vibrations