Geometry & MOs

Info

ID:	299919
PubChem CID:	117931304
Reduced:	SN2O2H24C27 (1)
Stoich.:	AB2C2D24E27 (1)
Weight, g/mol:	316.221387
ΔH_f, kcal/mol:	33.27
Dipole, Da:	2.63
IP(EA), eV:	-9.43(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,3-difluoro-4,4-dimethylpentoxy)methyl]adamantan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCN(CC2=NC(=CS2)C=O)C(=O)C3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations