Geometry & MOs

Info

ID:	123012
PubChem CID:	50830390
Reduced:	ClFO2N6H16C21 (1)
Stoich.:	ABC2D6E16F21 (1)
Weight, g/mol:	434.125802
ΔH_f, kcal/mol:	8.9
Dipole, Da:	5.44
IP(EA), eV:	-9.11(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(4-chlorophenyl)methyl]-4-methyl-11-[(3-methylphenyl)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

CN1C=C2C(=N1)C(=O)N(C3=NN(C(=O)N23)CC4=CC=CC=C4F)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations