Geometry & MOs

Info

ID:

439828

PubChem CID:

135229671

Reduced:

NOH47C73 (1)

Stoich.:

ABC47D73 (1)

Weight, g/mol:

205.18305

ΔHf, kcal/mol:

260.5

Dipole, Da:

0.95

IP(EA), eV:

 -8.08(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,5-dimethylcyclohepta-1,6-dien-1-yl)-N,N-dimethylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC=CC4=C3C5=CC=CC=C5C46C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC2=CC=CC=C29)C2=CC=CC3=C2C2=CC=CC=C2C32C3=CC=CC=C3C3=CC=CC=C23)C2=CC=CC=C21)C

DOS

IR

Vibrations