Geometry & MOs

Info

ID:	310861
PubChem CID:	126588241
Reduced:	IO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	356.198759
ΔH_f, kcal/mol:	-96.64
Dipole, Da:	2.49
IP(EA), eV:	-8.73(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-ethoxy-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2I)CC(=O)OC)C

DOS

IR

Vibrations