Geometry & MOs

Info

ID:

437252

PubChem CID:

135218278

Reduced:

ClO2N6H25C29 (1)

Stoich.:

AB2C6D25E29 (1)

Weight, g/mol:

836.60085

ΔHf, kcal/mol:

47.73

Dipole, Da:

4.7

IP(EA), eV:

 -9.17(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-(1,2,3,4,4a,5,6,8b,11,12,12a,12b-dodecahydrotriphenylen-2-yl)-2-N'-cyclohexa-1,3-dien-1-yl-2-N'-cyclohexa-2,4-dien-1-yl-4-N-(cyclohexen-1-yl)spiro[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene-9,9'-1,2,4a,7,8,9a-hexahydrofluorene]-2',4-diamine

Drug info:

PubChemData

Smile

C1CC2CCC1C(C2NC3=NC(=NC(=C3)C4=CC5=CC=CC=C5C=C4)C6=C7C=C(C=NC7=NN6)Cl)C(=O)O

DOS

IR

Vibrations