Geometry & MOs

Info

ID:

439169

PubChem CID:

135228934

Reduced:

ON3C24H27 (1)

Stoich.:

AB3C24D27 (1)

Weight, g/mol:

422.366099

ΔHf, kcal/mol:

22.61

Dipole, Da:

4.13

IP(EA), eV:

 -8.18(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-6-[6-[(E)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-2,4-dien-1-yl]-3-methyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]heptan-1-amine

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC(=C(C=C2)C3=CC(=C)C(=CN3)C(=O)C)CCC(C)C

DOS

IR

Vibrations