Geometry & MOs

Info

ID:	160702
PubChem CID:	57389482
Reduced:	ClFON6H16C21 (1)
Stoich.:	ABCD6E16F21 (1)
Weight, g/mol:	406.135365
ΔH_f, kcal/mol:	53.1
Dipole, Da:	6.1
IP(EA), eV:	-9.1(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-[2-[3-(5-fluoropyridin-2-yl)pyrazol-1-yl]ethyl]-2-pyrimidin-2-ylbenzamide

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)C2=C(C=C(C=C2)Cl)C(=O)NCCN3C=CC(=N3)C4=NC=C(C=C4)F

DOS

IR

Vibrations