Geometry & MOs

Info

ID:	344607
PubChem CID:	127268191
Reduced:	FON5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	376.247441
ΔH_f, kcal/mol:	34.99
Dipole, Da:	5.08
IP(EA), eV:	-8.97(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

C1CN(C(=O)C1N2CCN(CC2)C3=C(C=C(C=C3)C#N)F)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations