Geometry & MOs

Info

ID:	21466
PubChem CID:	588478
Reduced:	NC14H17 (1)
Stoich.:	AB14C17 (1)
Weight, g/mol:	199.1361
ΔH_f, kcal/mol:	57.31
Dipole, Da:	1.49
IP(EA), eV:	-8.9(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-tert-butyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

Drug info:

PubChemData

Smile

CC(C)(C)N1C2C=CC1C3=CC=CC=C23

DOS

IR

Vibrations