Geometry & MOs

Info

ID:	356564
PubChem CID:	127291790
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	367.192963
ΔH_f, kcal/mol:	-58.36
Dipole, Da:	3.23
IP(EA), eV:	-9.13(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3(CC3)C4=CC=CC=C4OC)C

DOS

IR

Vibrations