Geometry & MOs

Info

ID:	403676
PubChem CID:	135061305
Reduced:	OSC9H10 (3)
Stoich.:	ABC9D10 (3)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-61.11
Dipole, Da:	6.53
IP(EA), eV:	-8.37(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(diethylamino)-2-oxoethyl] 3-phenylprop-2-ynoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SC2CCCC(C2)(SC3=CC=C(C=C3)OC)SC4=CC=C(C=C4)OC

DOS

IR

Vibrations