Geometry & MOs

Info

ID:

437247

PubChem CID:

135218056

Reduced:

N9O23C70H91 (1)

Stoich.:

A9B23C70D91 (1)

Weight, g/mol:

367.3239

ΔHf, kcal/mol:

-842.3

Dipole, Da:

15.05

IP(EA), eV:

 -8.48(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7'-methylspiro[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-9,9'-1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2-amine

Drug info:

PubChemData

Smile

CC1=CN2[C@@H](C1)[C@@H](N(C3=CC(=C(C=C3C2=O)OC)OCCCOC4=C(C=C5C(=C4)N=CC6CC(=CN6C5=O)C)OC)C(=O)OCC7=CC=C(C=C7)NC(=O)[C@H](C)NC(=O)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN8C(=O)C=CC8=O)O

DOS

IR

Vibrations