Geometry & MOs

Info

ID:	205487
PubChem CID:	80110183
Reduced:	SN3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	251.109233
ΔH_f, kcal/mol:	31.11
Dipole, Da:	3.85
IP(EA), eV:	-9.48(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine

Drug info:

PubChemData

Smile

CC(C)CC(CN)C1=NC2=C(S1)C=CN=C2

DOS

IR

Vibrations