Geometry & MOs

Info

ID:	47177
PubChem CID:	10530321
Reduced:	NTiF2O2C31H31 (1)
Stoich.:	ABC2D2E31F31 (1)
Weight, g/mol:	533.210327
ΔH_f, kcal/mol:	-144.63
Dipole, Da:	3.11
IP(EA), eV:	-8.22(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,11-dimethoxy-2-phenylspiro[7,8-dihydro-2H-azepino[2,1-a]isoquinoline-3,9'-fluorene]-4,5-dicarbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C/C(=C/N[C@H](C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)/C1=O.F[Ti]F

DOS

IR

Vibrations