Geometry & MOs

Info

ID:

411677

PubChem CID:

135084511

Reduced:

NO2C21H27 (1)

Stoich.:

AB2C21D27 (1)

Weight, g/mol:

755.064544

ΔHf, kcal/mol:

-64.16

Dipole, Da:

2.88

IP(EA), eV:

 -8.49(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

10,16-bis[3,5-bis(trifluoromethyl)phenyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide

Drug info:

PubChemData

Smile

CCC1CN2CCC1C[C@@H]2[C@H](C3=CC=CC4=C3C=C(C=C4)OC)O

DOS

IR

Vibrations