Geometry & MOs

Info

ID:

321260

PubChem CID:

126665624

Reduced:

O3F4N6H26C30 (1)

Stoich.:

A3B4C6D26E30 (1)

Weight, g/mol:

589.230074

ΔHf, kcal/mol:

-164.46

Dipole, Da:

3.07

IP(EA), eV:

 -9.2(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[3-(2-cyano-1-phenylethyl)phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC=CC=C2)C3=CC(=C(C=C3)F)NC(=O)C4=CC(=NN4C5=CC(=CC=C5)N(C=N)C(=O)O)C(F)(F)F

DOS

IR

Vibrations