Geometry & MOs

Info

ID:	337929
PubChem CID:	127258552
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	189.136493
ΔH_f, kcal/mol:	-177.71
Dipole, Da:	3.04
IP(EA), eV:	-10.1(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethylamino)butyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C)COC(=O)C1=CC=CC=C1

DOS

IR

Vibrations