Geometry & MOs

Info

ID:	29977
PubChem CID:	838702
Reduced:	ClNO3H16C17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	-65.04
Dipole, Da:	5.62
IP(EA), eV:	-8.75(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-methoxy-2-(2-methylphenoxy)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC(=COC)C(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations