Geometry & MOs

Info

ID:	443770
PubChem CID:	135259966
Reduced:	N2O2C14H19 (2)
Stoich.:	A2B2C14D19 (2)
Weight, g/mol:	439.145596
ΔH_f, kcal/mol:	-132.03
Dipole, Da:	3.94
IP(EA), eV:	-8.84(-0.61)
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-[(3-fluorooxetan-3-yl)methoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations