Geometry & MOs

Info

ID:	160674
PubChem CID:	57389403
Reduced:	ClFON7H19C21 (1)
Stoich.:	ABCD7E19F21 (1)
Weight, g/mol:	433.171417
ΔH_f, kcal/mol:	73.4
Dipole, Da:	2.33
IP(EA), eV:	-9.11(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-fluoro-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-2-pyrimidin-2-ylbenzamide

Drug info:

PubChemData

Smile

CCN(CCN1C=C(C=N1)C2=NC=C(C=C2)F)C(=O)C3=C(C=CC(=C3)Cl)N4N=CC=N4

DOS

IR

Vibrations