Geometry & MOs

Info

ID:	146712
PubChem CID:	53733577
Reduced:	N2O6H20C23 (1)
Stoich.:	A2B6C20D23 (1)
Weight, g/mol:	375.154704
ΔH_f, kcal/mol:	-85.41
Dipole, Da:	11.01
IP(EA), eV:	-9.52(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-fluorophenyl)ethyl]-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]pyridine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CNC(=CC1=O)C=CC2=C(C=CC(=C2)[N+](=O)[O-])OCC3=CC=CC=C3

DOS

IR

Vibrations