Geometry & MOs

Info

ID:

299049

PubChem CID:

117670135

Reduced:

ClON4C8H11 (1)

Stoich.:

ABC4D8E11 (1)

Weight, g/mol:

589.27695

ΔHf, kcal/mol:

13.13

Dipole, Da:

2.73

IP(EA), eV:

-8.19(0.33)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(Z)-[(6Z)-6-[2-(15-cyclohexa-1,5-dien-1-yl-22-phenyl-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3(8),6,10,12,14,16(21),17,22-nonaen-19-ynyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]methanamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C2NC(=CO2)CN)Cl

DOS

IR

Vibrations