Geometry & MOs

Info

ID:	25326
PubChem CID:	623057
Reduced:	BN4H15C18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	96.31
Dipole, Da:	3.48
IP(EA), eV:	-9.1(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3,5,7,14,16-hexaene-5,6,16,17-tetrol

Drug info:

PubChemData

Smile

B1(N(N=NN1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations