Geometry & MOs

Info

ID:	216209
PubChem CID:	85085894
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	242.115424
ΔH_f, kcal/mol:	-65.3
Dipole, Da:	5.29
IP(EA), eV:	-9.48(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 3-hydroxy-2-prop-2-ynylpentanedioate

Drug info:

PubChemData

Smile

C1CC(=O)NC2C1C(NCC2)N3C=C(N=C3)CO

DOS

IR

Vibrations