Geometry & MOs

Info

ID:	83908
PubChem CID:	49862369
Reduced:	OF3N3H12C15 (1)
Stoich.:	AB3C3D12E15 (1)
Weight, g/mol:	654.443281
ΔH_f, kcal/mol:	-116.01
Dipole, Da:	4.47
IP(EA), eV:	-10.11(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-2-cyclohexylethyl]-N,1-di(propan-2-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC(=NC(=N1)C#N)C2=CC(=CC=C2)OC(F)(F)F

DOS

IR

Vibrations