Geometry & MOs

Info

ID:

132767

PubChem CID:

51416559

Reduced:

ClN2O2H10C12 (1)

Stoich.:

AB2C2D10E12 (1)

Weight, g/mol:

394.204513

ΔHf, kcal/mol:

-6.61

Dipole, Da:

2.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.768462

Charge, e:

 0

Chem-info

IUPAC name:

(10bR)-2-(4-phenylphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=C(C(=O)C=N2)Cl)[O-]

DOS

IR

Vibrations