Geometry & MOs

Info

ID:	233699
PubChem CID:	92092940
Reduced:	FO2N3H18C25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	387.149538
ΔH_f, kcal/mol:	2.83
Dipole, Da:	8.92
IP(EA), eV:	-9.93(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)F)C(=O)NCC3=C(N=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations