Geometry & MOs

Info

ID:	146333
PubChem CID:	53671785
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-10.64
Dipole, Da:	5.34
IP(EA), eV:	-9.41(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-2-(6-oxohept-3-enyl)tricyclo[2.2.1.11,3]octane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OCC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations