Geometry & MOs

Info

ID:	325960
PubChem CID:	126685807
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	449.217538
ΔH_f, kcal/mol:	13.87
Dipole, Da:	3.85
IP(EA), eV:	-8.56(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-4-[5-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1)NC2=CC=CC(=C2)C3=CN=C(O3)N4CCNC(=O)C4C

DOS

IR

Vibrations