Geometry & MOs

Info

ID:	140790
PubChem CID:	52760514
Reduced:	O2N3C16H28 (1)
Stoich.:	A2B3C16D28 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-43.07
Dipole, Da:	3.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753364
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[NH+](C1)CCCCNC(=O)C2=C(ON=C2C)C

DOS

IR

Vibrations