Geometry & MOs

Info

ID:	123011
PubChem CID:	50830374
Reduced:	O3N6H20C23 (1)
Stoich.:	A3B6C20D23 (1)
Weight, g/mol:	438.10073
ΔH_f, kcal/mol:	16.63
Dipole, Da:	3.01
IP(EA), eV:	-8.69(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(4-chlorophenyl)methyl]-11-[(2-fluorophenyl)methyl]-4-methyl-1,4,5,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,5,9-triene-7,12-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3C4=C2C(=O)N(C=N4)CC5=NC(=NO5)C

DOS

IR

Vibrations