Geometry & MOs

Info

ID:	53559
PubChem CID:	14716637
Reduced:	O2H20C21 (1)
Stoich.:	A2B20C21 (1)
Weight, g/mol:	201.078979
ΔH_f, kcal/mol:	71.9
Dipole, Da:	2.62
IP(EA), eV:	-8.62(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)OCC#C)C2=CC=C(C=C2)OCC#C

DOS

IR

Vibrations