Geometry & MOs

Info

ID:

400250

PubChem CID:

135046971

Reduced:

NPO2C27H35 (1)

Stoich.:

ABC2D27E35 (1)

Weight, g/mol:

461.993813

ΔHf, kcal/mol:

-20.81

Dipole, Da:

2.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.867667

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)P([C]2[CH][CH][CH][C]2[C@@H](C)N(C)C)C3=CC(=C(C(=C3)C)OC)C

DOS

IR

Vibrations