Geometry & MOs

Info

ID:	378710
PubChem CID:	134224805
Reduced:	ClNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	386.130967
ΔH_f, kcal/mol:	-54.98
Dipole, Da:	2.1
IP(EA), eV:	-9.44(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(propylamino)pyrimidin-4-yl]pyridin-2-one

Drug info:

PubChemData

Smile

CC(CC1=C(C=CC=C1Cl)CCO)N

DOS

IR

Vibrations