Geometry & MOs

Info

ID:

412566

PubChem CID:

135085463

Reduced:

NC13H14 (1)

Stoich.:

AB13C14 (1)

Weight, g/mol:

212.17763

ΔHf, kcal/mol:

35.64

Dipole, Da:

1.63

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.006295

Charge, e:

 0

Chem-info

IUPAC name:

undec-3-en-2-yl acetate

Drug info:

PubChemData

Smile

CC1=[NH+]C(=CC=C1)C2=CC=CC=C2C

DOS

IR

Vibrations