Geometry & MOs

Info

ID:

435961

PubChem CID:

135193035

Reduced:

O2P2N3H43C54 (1)

Stoich.:

A2B2C3D43E54 (1)

Weight, g/mol:

853.298702

ΔHf, kcal/mol:

98.84

Dipole, Da:

2.96

IP(EA), eV:

 -8.1(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dimethyl-10-[3-[phenyl-[2-[[2-[phenyl-(3-pyrimidin-2-ylphenyl)phosphoryl]phenyl]methyl]phenyl]phosphoryl]phenyl]acridine

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC(=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4CC5=CC=CC=C5P(=O)(C6=CC=CC=C6)C7=CC=CC(=C7)N(C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations