Geometry & MOs

Info

ID:

406916

PubChem CID:

135078922

Reduced:

ON2C16H17 (1)

Stoich.:

AB2C16D17 (1)

Weight, g/mol:

231.162314

ΔHf, kcal/mol:

15.06

Dipole, Da:

4.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.397791

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-4,6-dimethyl-N-phenylhept-3-enamide

Drug info:

PubChemData

Smile

CC\1(CC(=O)N/[N+]1=C\C2=CC3=CC=CC=C3C=C2)C

DOS

IR

Vibrations