Geometry & MOs

Info

ID:	313174
PubChem CID:	126612368
Reduced:	ON3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	342.183109
ΔH_f, kcal/mol:	72.45
Dipole, Da:	2.38
IP(EA), eV:	-8.34(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenoxy)ethyl 4-butoxy-2-methylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)N)N2C=C3C(N2)C=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations