Geometry & MOs

Info

ID:	396273
PubChem CID:	135027899
Reduced:	NO2C25H27 (1)
Stoich.:	AB2C25D27 (1)
Weight, g/mol:	215.107205
ΔH_f, kcal/mol:	-7.16
Dipole, Da:	7.65
IP(EA), eV:	-8.33(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-ethoxy-2-phenylcyclohexa-1,5-dien-1-olate

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1CO/C(=C/2\C=CC=C2C(C3=CC=CC=C3)(C4=CC=CC=C4)O)/N1

DOS

IR

Vibrations