Geometry & MOs

Info

ID:	325959
PubChem CID:	126685803
Reduced:	O2N8C23H28 (1)
Stoich.:	A2B8C23D28 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	24.69
Dipole, Da:	4.02
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[3-[(5-ethylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C2=NC=C(O2)C3=CC(=CC=C3)NC4=NC=CC(=N4)N5CCN(CC5)C

DOS

IR

Vibrations