Geometry & MOs

Info

ID:	313117
PubChem CID:	126612071
Reduced:	NOH49C60 (1)
Stoich.:	ABC49D60 (1)
Weight, g/mol:	1195.475316
ΔH_f, kcal/mol:	119.94
Dipole, Da:	1.82
IP(EA), eV:	-7.47(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC3=C(C4=CC=CC=C42)C5=CC6=C(C=C5C3(C)C)OC7=C(N6C8=C(C=C(C=C8)C)C)C=C9C(=C7)C(C1=C9C2=CC=CC=C2C(=C1)C1=CC=C(C=C1)C)(C)C

DOS

IR

Vibrations