Geometry & MOs

Info

ID:

32292

PubChem CID:

6436371

Reduced:

NC21H44 (1)

Stoich.:

AB21C44 (1)

Weight, g/mol:

380.365431

ΔHf, kcal/mol:

-37.58

Dipole, Da:

0.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750631

Charge, e:

 0

Chem-info

IUPAC name:

propyl (Z)-docos-13-enoate

Drug info:

PubChemData

Smile

CCCCCCCC/C=C/CCCCCCCC[N+](C)(C)C

DOS

IR

Vibrations