Geometry & MOs

Info

ID:	348959
PubChem CID:	127274685
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-68.85
Dipole, Da:	2.96
IP(EA), eV:	-9.12(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CC(C(=O)NC1(CCCCC1)C#N)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations