Geometry & MOs

Info

ID:

85526

PubChem CID:

49876372

Reduced:

NOCl2C11H14 (1)

Stoich.:

ABC2D11E14 (1)

Weight, g/mol:

313.95781

ΔHf, kcal/mol:

-0.12

Dipole, Da:

4.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750022

Charge, e:

 -1

Chem-info

IUPAC name:

2-[(2-bromoethylamino)methyl]cyclohexan-1-one;bromide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CCNCCCl.[Cl-]

DOS

IR

Vibrations