Geometry & MOs

Info

ID:	360619
PubChem CID:	127301264
Reduced:	SO2N5C17H29 (1)
Stoich.:	AB2C5D17E29 (1)
Weight, g/mol:	377.24269
ΔH_f, kcal/mol:	-50.14
Dipole, Da:	3.68
IP(EA), eV:	-8.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCOC1=NN=C(S1)CN2CCC(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations