Geometry & MOs

Info

ID:	130644
PubChem CID:	51091881
Reduced:	N2O2F3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	349.153875
ΔH_f, kcal/mol:	-207.08
Dipole, Da:	1.96
IP(EA), eV:	-8.74(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C2=CC=C(C=C2)NC(=O)CC(F)(F)F)C

DOS

IR

Vibrations