Geometry & MOs

Info

ID:

412118

PubChem CID:

135084992

Reduced:

NOC16H20 (1)

Stoich.:

ABC16D20 (1)

Weight, g/mol:

243.162314

ΔHf, kcal/mol:

33.38

Dipole, Da:

2.54

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.868353

Charge, e:

 0

Chem-info

IUPAC name:

N-[(S)-cyclopenta-2,4-dien-1-yl(phenoxy)methyl]-N-ethylethanamine

Drug info:

PubChemData

Smile

CCN(CC)[C@H](C1=C[CH-]C=C1)OC2=CC=CC=C2

DOS

IR

Vibrations