Geometry & MOs

Info

ID:	325955
PubChem CID:	126685777
Reduced:	O2N6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	418.136508
ΔH_f, kcal/mol:	13.43
Dipole, Da:	2.45
IP(EA), eV:	-8.58(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C2=NC=C(O2)C3=CC(=CC=C3)NC4=NC=CC(=N4)C

DOS

IR

Vibrations