Geometry & MOs

Info

ID:	430595
PubChem CID:	135170661
Reduced:	NO2C6H9 (1)
Stoich.:	AB2C6D9 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-76.0
Dipole, Da:	2.14
IP(EA), eV:	-9.83(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,3Z,5Z,7E)-2-ethyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]cycloocta-1,3,5,7-tetraene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(N(C1=O)C)O

DOS

IR

Vibrations