Geometry & MOs

Info

ID:

434557

PubChem CID:

135175191

Reduced:

F2N3O9C40H45 (1)

Stoich.:

A2B3C9D40E45 (1)

Weight, g/mol:

512.285049

ΔHf, kcal/mol:

-379.03

Dipole, Da:

3.75

IP(EA), eV:

 -8.41(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[2-(dimethylamino)-3,3-difluoro-3-(4-phenylphenyl)propanoyl]-3-bicyclo[3.2.1]octanyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCOCCCOCCCOC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F

DOS

IR

Vibrations