Geometry & MOs

Info

ID:	325954
PubChem CID:	126685775
Reduced:	O2F3N6C21H21 (1)
Stoich.:	A2B3C6D21E21 (1)
Weight, g/mol:	364.164774
ΔH_f, kcal/mol:	-143.51
Dipole, Da:	4.9
IP(EA), eV:	-8.8(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[5-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NCCN1C2=NC=C(O2)C3=CC(=CC=C3)NC4=NC=CC(=N4)C(F)(F)F

DOS

IR

Vibrations