Geometry & MOs

Info

ID:	152924
PubChem CID:	56312017
Reduced:	FO2N4C25H31 (1)
Stoich.:	AB2C4D25E31 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-87.99
Dipole, Da:	2.59
IP(EA), eV:	-8.99(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations