Geometry & MOs

Info

ID:	443746
PubChem CID:	135259900
Reduced:	FN3O3C31H44 (1)
Stoich.:	AB3C3D31E44 (1)
Weight, g/mol:	469.172559
ΔH_f, kcal/mol:	-162.0
Dipole, Da:	7.33
IP(EA), eV:	-8.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-[4-[1-(3,3-difluorocyclobutyl)ethoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=C(C=C2)OCC3CCN(CC3)CC(C)(C)F)C)CC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations