Geometry & MOs

Info

ID:	392376
PubChem CID:	135014945
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	396.212071
ΔH_f, kcal/mol:	-55.49
Dipole, Da:	2.3
IP(EA), eV:	-9.13(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-enoate

Drug info:

PubChemData

Smile

CN1C(CCC1C(=O)OC)C2=CN=CC=C2

DOS

IR

Vibrations