Geometry & MOs

Info

ID:	125210
PubChem CID:	50915262
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	353.256609
ΔH_f, kcal/mol:	-31.64
Dipole, Da:	3.56
IP(EA), eV:	-9.03(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;2-hydroxyethyl(trimethyl)azanium

Drug info:

PubChemData

Smile

CCC(C)(C1=CC(NCC1)C2=CC=CC=C2)O

DOS

IR

Vibrations