Geometry & MOs

Info

ID:

191668

PubChem CID:

78174548

Reduced:

O3N4C15H15 (1)

Stoich.:

A3B4C15D15 (1)

Weight, g/mol:

216.126263

ΔHf, kcal/mol:

-18.45

Dipole, Da:

1.92

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.797470

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)C(C3=CC=CC=C3)OC

DOS

IR

Vibrations