Geometry & MOs

Info

ID:	288545
PubChem CID:	104319258
Reduced:	ON2C5H10 (2)
Stoich.:	AB2C5D10 (2)
Weight, g/mol:	274.178024
ΔH_f, kcal/mol:	-49.31
Dipole, Da:	4.76
IP(EA), eV:	-9.15(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(3-hydroxybutyl)-2-propan-2-ylpropanedioate

Drug info:

PubChemData

Smile

CC(CCN1C=C(N=N1)CNCCOC)O

DOS

IR

Vibrations