Geometry & MOs

Info

ID:	128192
PubChem CID:	51034458
Reduced:	FIN2H4C5 (1)
Stoich.:	ABC2D4E5 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	5.48
Dipole, Da:	1.24
IP(EA), eV:	-9.21(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-11,11-dimethyl-2,4,5,9,20-pentazatetracyclo[14.3.1.16,9.03,7]henicosa-1(19),2,6,16(20),17-pentaen-10-one

Drug info:

PubChemData

Smile

C1=CN=C(C(=C1I)F)N

DOS

IR

Vibrations