Geometry & MOs

Info

ID:

165981

PubChem CID:

74621440

Reduced:

ClNPO3C16H18 (1)

Stoich.:

ABCD3E16F18 (1)

Weight, g/mol:

276.078955

ΔHf, kcal/mol:

-158.35

Dipole, Da:

5.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.142952

Charge, e:

 -1

Chem-info

IUPAC name:

[anilino-(3-methylphenyl)methyl]-hydroxyphosphinate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C(NC2=CC=C(C=C2)Cl)P(=O)(O)[O-])C

DOS

IR

Vibrations