Geometry & MOs

Info

ID:

319856

PubChem CID:

126657410

Reduced:

N4C13H29 (1)

Stoich.:

A4B13C29 (1)

Weight, g/mol:

151.099714

ΔHf, kcal/mol:

25.71

Dipole, Da:

1.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750735

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]formamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCN2CC[N+](CC2)(C)C

DOS

IR

Vibrations