Geometry & MOs

Info

ID:	714
PubChem CID:	3241
Reduced:	N3H15C16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	249.126598
ΔH_f, kcal/mol:	76.22
Dipole, Da:	2.54
IP(EA), eV:	-8.53(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine

Drug info:

PubChemData

Smile

C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N

DOS

IR

Vibrations