Geometry & MOs

Info

ID:	315303
PubChem CID:	126625489
Reduced:	NO3H25C32 (1)
Stoich.:	AB3C25D32 (1)
Weight, g/mol:	514.189257
ΔH_f, kcal/mol:	125.54
Dipole, Da:	6.16
IP(EA), eV:	-7.57(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9'-(N-methylanilino)-3-oxospiro[3a,7a-dihydro-2-benzofuran-1,12'-benzo[a]xanthene]-3'-yl]acetamide

Drug info:

PubChemData

Smile

C/C=C/1\C(=C/C(=C)NC2=CC=CC=C2C)\OC3=C(C14C5=CC=CC=C5C(=O)O4)C6=CC=CC=C6C=C3

DOS

IR

Vibrations