Geometry & MOs

Info

ID:	189955
PubChem CID:	77931868
Reduced:	ClON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	489.178788
ΔH_f, kcal/mol:	-21.64
Dipole, Da:	8.3
IP(EA), eV:	-8.83(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminopyrimidin-5-yl)-N-[2-(1-ethylpyrrolidin-3-yl)oxy-5-(trifluoromethyl)phenyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1Cl)C#N)NC(C)C2C(CCN2)O

DOS

IR

Vibrations