Geometry & MOs

Info

ID:

448485

PubChem CID:

135291320

Reduced:

N11O12C62H113 (1)

Stoich.:

A11B12C62D113 (1)

Weight, g/mol:

274.242729

ΔHf, kcal/mol:

-649.22

Dipole, Da:

15.02

IP(EA), eV:

 -8.96(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(3-chloropropyl)-7-methyltridecane

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)N)N(C)C(=O)CN(C)C(=O)[C@@H](CC)NC(=O)C([C@H]([C@H](C)C/C=C/C)O)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)C(C)C

DOS

IR

Vibrations