Geometry & MOs

Info

ID:

170315

PubChem CID:

75216186

Reduced:

NPO3C29H34 (1)

Stoich.:

ABC3D29E34 (1)

Weight, g/mol:

463.206502

ΔHf, kcal/mol:

-155.34

Dipole, Da:

2.07

IP(EA), eV:

 -8.69(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(NC2=O)P3OC4=C(C5=C(CCCC5)C=C4)C6=C(O3)C=CC7=C6CCCC7

DOS

IR

Vibrations