Geometry & MOs

Info

ID:	325953
PubChem CID:	126685773
Reduced:	ON3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	446.167808
ΔH_f, kcal/mol:	31.37
Dipole, Da:	3.1
IP(EA), eV:	-8.51(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=O)NCCN1C2=NC=C(O2)C3=CC(=CC=C3)NC4=NC=CC(=N4)C5CC5)C

DOS

IR

Vibrations