Geometry & MOs

Info

ID:	160648
PubChem CID:	57389316
Reduced:	FON7C22H22 (1)
Stoich.:	ABC7D22E22 (1)
Weight, g/mol:	434.166666
ΔH_f, kcal/mol:	73.47
Dipole, Da:	4.65
IP(EA), eV:	-9.09(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations