Geometry & MOs

Info

ID:	325956
PubChem CID:	126685778
Reduced:	O2F3N6H17C19 (1)
Stoich.:	A2B3C6D17E19 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-130.13
Dipole, Da:	2.61
IP(EA), eV:	-8.74(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(3-aminophenyl)-1,3-oxazol-2-yl]-3,3-dimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C2=NC=C(O2)C3=CC(=CC=C3)NC4=NC=CC(=N4)C(F)(F)F

DOS

IR

Vibrations