Geometry & MOs

Info

ID:	404480
PubChem CID:	135066445
Reduced:	ClGaH8N8F16C48 (1)
Stoich.:	ABC8D8E16F48 (1)
Weight, g/mol:	1907.44177
ΔH_f, kcal/mol:	-434.06
Dipole, Da:	8.72
IP(EA), eV:	-7.92(-3.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

C1=C2C(=CC3=C1C4=NC5=C6C=C7C(=CC6=C8N5[Ga](N9C(=NC3=N4)C1=C(C9=NC3=NC(=N8)C4=C3C=C3C(=C4)C(=C(C(=C3F)F)F)F)C=C3C(=C1)C(=C(C(=C3F)F)F)F)Cl)C(=C(C(=C7F)F)F)F)C(=C(C(=C2F)F)F)F

DOS

IR

Vibrations