Geometry & MOs

Info

ID:	164192
PubChem CID:	74382244
Reduced:	NO4C19H31 (1)
Stoich.:	AB4C19D31 (1)
Weight, g/mol:	365.256609
ΔH_f, kcal/mol:	-179.34
Dipole, Da:	3.07
IP(EA), eV:	-8.66(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(diethylamino)-3-methylpentyl] 3-butoxy-4-hydroxybenzoate

Drug info:

PubChemData

Smile

CCCCOC1=C(C=CC(=C1)C(=O)OCC(C(C)CC)N(C)C)O

DOS

IR

Vibrations