Geometry & MOs

Info

ID:	164193
PubChem CID:	74382245
Reduced:	NO4C21H35 (1)
Stoich.:	AB4C21D35 (1)
Weight, g/mol:	337.225308
ΔH_f, kcal/mol:	-191.09
Dipole, Da:	3.44
IP(EA), eV:	-8.59(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations