Geometry & MOs

Info

ID:	408400
PubChem CID:	135081166
Reduced:	N2O4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-176.35
Dipole, Da:	5.1
IP(EA), eV:	-10.28(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(hydroxymethyl)hex-5-enyl] acetate

Drug info:

PubChemData

Smile

CC(=O)N1C(=O)C(NC1=O)CC2CCCC2=O

DOS

IR

Vibrations