Geometry & MOs

Info

ID:	24145
PubChem CID:	608062
Reduced:	NC14H17 (1)
Stoich.:	AB14C17 (1)
Weight, g/mol:	199.1361
ΔH_f, kcal/mol:	8.25
Dipole, Da:	2.91
IP(EA), eV:	-7.67(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,6-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

Drug info:

PubChemData

Smile

CC1=CC2=C3C(=C1)C(=C(N3CCC2)C)C

DOS

IR

Vibrations