Geometry & MOs

Info

ID:	204615
PubChem CID:	79988803
Reduced:	FNS2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	-4.19
Dipole, Da:	4.01
IP(EA), eV:	-8.47(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(3,5-dimethyl-1-adamantyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(CSC2=CC=C(C=C2)F)NC

DOS

IR

Vibrations