Geometry & MOs

Info

ID:	443779
PubChem CID:	135259979
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	464.158387
ΔH_f, kcal/mol:	-92.12
Dipole, Da:	5.38
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(6-pyrrolidin-1-ylpyridin-3-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=CC=C2)C)C(=O)C3=CC=C(C=C3)CC(=O)O

DOS

IR

Vibrations