Geometry & MOs

Info

ID:	313176
PubChem CID:	126612372
Reduced:	O4C21H26 (1)
Stoich.:	A4B21C26 (1)
Weight, g/mol:	342.183109
ΔH_f, kcal/mol:	-152.34
Dipole, Da:	4.84
IP(EA), eV:	-8.76(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations