Geometry & MOs

Info

ID:	404615
PubChem CID:	135067839
Reduced:	NO4H13C17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	395.249185
ΔH_f, kcal/mol:	-40.12
Dipole, Da:	3.39
IP(EA), eV:	-8.6(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2S)-1-[(1Z,3E)-4-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-2-(diethylcarbamoyl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)OC2=[N+](C3=CC=CC=C3C=C2)[O-]

DOS

IR

Vibrations