Geometry & MOs

Info

ID:	176357
PubChem CID:	76037012
Reduced:	N4O6C17H24 (1)
Stoich.:	A4B6C17D24 (1)
Weight, g/mol:	974.503912
ΔH_f, kcal/mol:	-168.16
Dipole, Da:	6.01
IP(EA), eV:	-9.68(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-diethoxyphosphoryl(C60-Ih)[5,6]fulleran-1-yl) acetate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OCCNC(=O)OCC2=CC=CC=C2)OC)N=[N+]=[N-])O

DOS

IR

Vibrations