Geometry & MOs

Info

ID:	233672
PubChem CID:	91560854
Reduced:	N5C35H76 (1)
Stoich.:	A5B35C76 (1)
Weight, g/mol:	455.077004
ΔH_f, kcal/mol:	-62.25
Dipole, Da:	3.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763193
Charge, e:	0

Chem-info

IUPAC name:

2-aminoethyl (6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) hydrogen phosphate

Drug info:

PubChemData

Smile

CCCCCCCCN(CCCCCCCC)N=C(N)[N+](C)(C)N(CCCCCCCC)CCCCCCCC

DOS

IR

Vibrations