Geometry & MOs

Info

ID:

412207

PubChem CID:

135085082

Reduced:

N2O2C85H88 (1)

Stoich.:

A2B2C85D88 (1)

Weight, g/mol:

942.12581

ΔHf, kcal/mol:

53.35

Dipole, Da:

2.7

IP(EA), eV:

 -8.41(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

acetic acid;(2-methanidylphenyl)-bis(2-methylphenyl)phosphanium;palladium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(C2=CC(=CC(=C2)C)C)C3=CC(=CC(=C3N4C=CN([C]4)C5=C(C=C(C=C5C(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)OC)C(C8=CC(=CC(=C8)C)C)C9=CC(=CC(=C9)C)C)C(C1=CC(=CC(=C1)C)C)C1=CC(=CC(=C1)C)C)OC)C

DOS

IR

Vibrations