Geometry & MOs

Info

ID:

230292

PubChem CID:

87570596

Reduced:

ClON6C14H18 (1)

Stoich.:

ABC6D14E18 (1)

Weight, g/mol:

140.08373

ΔHf, kcal/mol:

116.52

Dipole, Da:

4.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.815561

Charge, e:

 0

Chem-info

IUPAC name:

2-[(E)-4-(oxiran-2-yl)but-2-enyl]oxirane

Drug info:

PubChemData

Smile

C1CC1C2(C=C(NN2)N)C3=C4C(=NC(=N3)Cl)[N+]45CCOCC5

DOS

IR

Vibrations