Geometry & MOs

Info

ID:	436379
PubChem CID:	135199582
Reduced:	N4O5C32H36 (1)
Stoich.:	A4B5C32D36 (1)
Weight, g/mol:	400.178693
ΔH_f, kcal/mol:	-135.46
Dipole, Da:	3.04
IP(EA), eV:	-8.43(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3',6'-bis(dimethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(C)C)C5=C(C=CC(=C5)C(=O)NCCCCCCNC=O)C(=O)O3

DOS

IR

Vibrations