Geometry & MOs

Info

ID:	313175
PubChem CID:	126612370
Reduced:	O4C21H26 (1)
Stoich.:	A4B21C26 (1)
Weight, g/mol:	342.183109
ΔH_f, kcal/mol:	-156.0
Dipole, Da:	5.72
IP(EA), eV:	-8.85(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=CC(=C(C=C1)C(=O)OCCOC2=CC=CC(=C2)C)C

DOS

IR

Vibrations