Geometry & MOs

Info

ID:	404607
PubChem CID:	135067572
Reduced:	NO3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	450.259022
ΔH_f, kcal/mol:	-71.85
Dipole, Da:	2.39
IP(EA), eV:	-8.95(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2Z,4E)-7-[tert-butyl(diphenyl)silyl]oxyhepta-2,4-dien-3-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@@H](C1=CC2=CC=CC=C2C=C1)NCC3=CC=CC=C3)O

DOS

IR

Vibrations