Geometry & MOs

Info

ID:	28250
PubChem CID:	826549
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	248.08373
ΔH_f, kcal/mol:	-53.44
Dipole, Da:	2.77
IP(EA), eV:	-8.99(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene-15-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCC(=O)N)C(=O)C2=CN=CC=C2

DOS

IR

Vibrations