Geometry & MOs

Info

ID:	180966
PubChem CID:	76712459
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	298.196421
ΔH_f, kcal/mol:	21.96
Dipole, Da:	5.71
IP(EA), eV:	-9.3(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C)(C#N)NC(C2=CC=CC=C2)NC=O

DOS

IR

Vibrations