Geometry & MOs

Info

ID:	187082
PubChem CID:	77529634
Reduced:	ON2C23H24 (1)
Stoich.:	AB2C23D24 (1)
Weight, g/mol:	196.074896
ΔH_f, kcal/mol:	43.85
Dipole, Da:	4.15
IP(EA), eV:	-8.76(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,12-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3,6,8,10,12,14-heptaene

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC(=CC=C2)OCC3CC(NN3)C4=CC=CC=C4

DOS

IR

Vibrations