Geometry & MOs

Info

ID:	129893
PubChem CID:	51074185
Reduced:	FOSN3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-22.62
Dipole, Da:	1.81
IP(EA), eV:	-9.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NC(C2=CC(=CC=C2)F)C3=NC=CN3C)C

DOS

IR

Vibrations