Geometry & MOs

Info

ID:

410135

PubChem CID:

135082925

Reduced:

Cr2P5C18H26 (1)

Stoich.:

A2B5C18D26 (1)

Weight, g/mol:

151.063329

ΔHf, kcal/mol:

130.2

Dipole, Da:

6.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 5.685884

Charge, e:

 0

Chem-info

IUPAC name:

7,8-dihydro-3H-pyrido[1,2-c][1,3]oxazin-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[C]1[CH][CH][CH][CH]1.CC(C)(C)[C]1[CH][CH][CH][CH]1.[P]1[P][P][P][P]1.[Cr].[Cr]

DOS

IR

Vibrations