Geometry & MOs

Info

ID:	300118
PubChem CID:	119526876
Reduced:	OCl2N3C23H33 (1)
Stoich.:	AB2C3D23E33 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-97.33
Dipole, Da:	9.04
IP(EA), eV:	-9.14(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=CC(=C2)CN3CCCC3)N.Cl.Cl

DOS

IR

Vibrations