Geometry & MOs

Info

ID:	246987
PubChem CID:	103066044
Reduced:	ClNOC14H14 (1)
Stoich.:	ABCD14E14 (1)
Weight, g/mol:	254.070972
ΔH_f, kcal/mol:	6.15
Dipole, Da:	1.64
IP(EA), eV:	-8.56(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[2-(chloromethyl)prop-2-enoxy]phenyl]acetate

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2OCC(=C)CCl)C=C1

DOS

IR

Vibrations