Geometry & MOs

Info

ID:

445004

PubChem CID:

135264253

Reduced:

PO3N4C24H35 (1)

Stoich.:

AB3C4D24E35 (1)

Weight, g/mol:

535.271227

ΔHf, kcal/mol:

-138.56

Dipole, Da:

3.38

IP(EA), eV:

 -8.91(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)cyclohexa-2,4-dien-1-yl]cyclohexyl]methyl-[4-(dimethylamino)phenyl]phosphinic acid

Drug info:

PubChemData

Smile

CC(C)P(=O)(CC1CCC(CC1)C2CC=C(C=C2)C3=NC4=C(N=CN=C4OC3(C)C)N)O

DOS

IR

Vibrations