Geometry & MOs

Info

ID:	45921
PubChem CID:	10519125
Reduced:	LiNOSSiC16H22 (1)
Stoich.:	ABCDEF16G22 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-49.17
Dipole, Da:	8.3
IP(EA), eV:	-7.79(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butan-1-ol

Drug info:

PubChemData

Smile

[Li+].CC[Si](CC)(CC)OC(C1=CC=CC=N1)C2=C[C-]=CS2

DOS

IR

Vibrations