Geometry & MOs

Info

ID:	443781
PubChem CID:	135259982
Reduced:	OF4N5H17C22 (1)
Stoich.:	AB4C5D17E22 (1)
Weight, g/mol:	405.160103
ΔH_f, kcal/mol:	-97.54
Dipole, Da:	6.84
IP(EA), eV:	-9.38(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-cyano-4-methylphenyl)methyl]triazol-4-yl]-2-[4-(3-fluorooxetan-3-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC1(C2=CC=C(C=C2)CC(=O)NC3=NN(N=C3)CC4=CC(=C(C=C4)C#N)F)C(F)(F)F

DOS

IR

Vibrations