Geometry & MOs

Info

ID:	325958
PubChem CID:	126685795
Reduced:	ON3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	448.233522
ΔH_f, kcal/mol:	0.01
Dipole, Da:	0.62
IP(EA), eV:	-8.57(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations