Geometry & MOs

Info

ID:	325957
PubChem CID:	126685780
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	-28.5
Dipole, Da:	5.05
IP(EA), eV:	-8.54(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=O)NCCN1C2=NC=C(O2)C3=CC(=CC=C3)N)C

DOS

IR

Vibrations