Geometry & MOs

Info

ID:	312764
PubChem CID:	126608386
Reduced:	FON6H17C22 (1)
Stoich.:	ABC6D17E22 (1)
Weight, g/mol:	119.048347
ΔH_f, kcal/mol:	71.35
Dipole, Da:	3.23
IP(EA), eV:	-8.72(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8-diazatricyclo[3.3.0.02,7]octa-2(7),3,5-trien-4-amine

Drug info:

PubChemData

Smile

C1CC1(C2=NC3=C(N2)C=C(C=C3)N4C(=C(C=N4)C(=O)C5=CC6=CC=CC=C6N5)N)F

DOS

IR

Vibrations