Geometry & MOs

Info

ID:	9063
PubChem CID:	85711
Reduced:	ClN2O2C17H29 (1)
Stoich.:	AB2C2D17E29 (1)
Weight, g/mol:	328.191756
ΔH_f, kcal/mol:	-133.38
Dipole, Da:	5.91
IP(EA), eV:	-8.71(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(diethylamino)-4-methylpentyl] 4-aminobenzoate;hydrochloride

Drug info:

PubChemData

Smile

CCN(CC)C(CC(C)C)COC(=O)C1=CC=C(C=C1)N.Cl

DOS

IR

Vibrations