Geometry & MOs

Info

ID:	443775
PubChem CID:	135259975
Reduced:	O3N4C28H38 (1)
Stoich.:	A3B4C28D38 (1)
Weight, g/mol:	421.166251
ΔH_f, kcal/mol:	-92.05
Dipole, Da:	3.45
IP(EA), eV:	-8.78(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-[6-(3-methoxyazetidin-1-yl)pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=CC(=C2)CN3CCN(CC3)C(=O)C)C)CC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations