Geometry & MOs

Info

ID:

426115

PubChem CID:

135139799

Reduced:

NOC17H26 (1)

Stoich.:

ABC17D26 (1)

Weight, g/mol:

872.322521

ΔHf, kcal/mol:

-7.19

Dipole, Da:

1.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753959

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COCC[N+]23CCC(CC2)CC3

DOS

IR

Vibrations