Geometry & MOs

Info

ID:

399292

PubChem CID:

135039451

Reduced:

NH14C15 (1)

Stoich.:

AB14C15 (1)

Weight, g/mol:

205.146664

ΔHf, kcal/mol:

84.62

Dipole, Da:

1.82

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.861783

Charge, e:

0

Chem-info

IUPAC name:

(6S)-4-ethenyl-7,10,10-trimethyl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene

Drug info:

PubChemData

Smile

CC(C1=C[CH-]C=C1)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations