Geometry & MOs

Info

ID:	10826
PubChem CID:	108327
Reduced:	N2O3H32C34 (1)
Stoich.:	A2B3C32D34 (1)
Weight, g/mol:	516.241293
ΔH_f, kcal/mol:	-33.14
Dipole, Da:	6.88
IP(EA), eV:	-8.2(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2'-anilino-6'-[cyclohexyl(methyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1NC3=CC=CC=C3)C4(C5=C(O2)C=C(C=C5)N(C)C6CCCCC6)C7=CC=CC=C7C(=O)O4

DOS

IR

Vibrations