Geometry & MOs

Info

ID:	291487
PubChem CID:	112783541
Reduced:	OS2N5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	336.076451
ΔH_f, kcal/mol:	86.54
Dipole, Da:	5.72
IP(EA), eV:	-8.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(4-chlorophenoxy)ethoxy]-4-methoxybenzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NN=C(N3C)C4=CC=CC=C4

DOS

IR

Vibrations