Geometry & MOs

Info

ID:	325963
PubChem CID:	126685813
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	7.62
Dipole, Da:	3.61
IP(EA), eV:	-8.56(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1)NC2=CC=CC(=C2)C3=CN=C(O3)N4CCNC(=O)C4C

DOS

IR

Vibrations