Geometry & MOs

Info

ID:	130217
PubChem CID:	51075296
Reduced:	OSF2N2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	-126.75
Dipole, Da:	3.53
IP(EA), eV:	-8.86(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCCNC(=O)C1=CC=C(C=C1)SC(F)F

DOS

IR

Vibrations