Geometry & MOs

Info

ID:	42681
PubChem CID:	8149861
Reduced:	FN4C21H33 (1)
Stoich.:	AB4C21D33 (1)
Weight, g/mol:	329.099811
ΔH_f, kcal/mol:	-24.7
Dipole, Da:	5.32
IP(EA), eV:	-8.65(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(3-fluoro-4-methylanilino)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CCN(CC)CCC[C@@H](C)NCC1=C(N(N=C1C)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations