Geometry & MOs

Info

ID:	408116
PubChem CID:	135080872
Reduced:	BON9H38C51 (1)
Stoich.:	ABC9D38E51 (1)
Weight, g/mol:	1377.33269
ΔH_f, kcal/mol:	310.02
Dipole, Da:	9.94
IP(EA), eV:	-7.81(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B-]12(N3C4=C5C=CC(=CC5=C3N=C6N1C(=NC7=[N+]2C(=N4)C8=C7C=CC(=C8)CCC9=CN=CC=C9)C1=C6C=CC(=C1)CCC1=CN=CC=C1)CCC1=CN=CC=C1)OC1=CC=CC=C1

DOS

IR

Vibrations