Geometry & MOs

Info

ID:

225012

PubChem CID:

85735527

Reduced:

ClO2N3H13C15 (1)

Stoich.:

AB2C3D13E15 (1)

Weight, g/mol:

158.112692

ΔHf, kcal/mol:

-25.67

Dipole, Da:

4.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.896976

Charge, e:

 0

Chem-info

IUPAC name:

5-trimethylsilylpent-4-en-1-ol

Drug info:

PubChemData

Smile

CN1C(=O)C(C=[N+](C1=O)C)C2=C3C=CC(=CC3=NC=C2)Cl

DOS

IR

Vibrations