Geometry & MOs

Info

ID:

321241

PubChem CID:

126665581

Reduced:

F3O3N5H36C43 (1)

Stoich.:

A3B3C5D36E43 (1)

Weight, g/mol:

753.269352

ΔHf, kcal/mol:

-49.08

Dipole, Da:

5.07

IP(EA), eV:

 -8.56(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[3-[(10-chloroanthracen-9-yl)-(cyclopropylmethylamino)methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)C5=C(C=CC(=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations